journal menu
research communications
Open 
access
access
X-ray powder diffraction was used to determine the structures of six different rare-earth oxyapatites that were shown to be isostructural.
Supporting information
 | Crystallographic Information File (CIF) https://doi.org/10.1107/S2056989019008442/vn2147sup1.cif |
 | Rietveld powder data file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Lasup2.rtv |
 | Structure factor file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Lasup8.hkl |
| Rietveld powder data file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Ndsup3.rtv |
| Structure factor file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Ndsup9.hkl |
| Structure factor file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Smsup10.hkl |
| Rietveld powder data file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Smsup4.rtv |
| Structure factor file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Eusup11.hkl |
| Rietveld powder data file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Eusup5.rtv |
| Structure factor file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Ybsup12.hkl |
| Rietveld powder data file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Ca-Ybsup6.rtv |
| Structure factor file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Na-Lasup13.hkl |
| Rietveld powder data file (CIF format) https://doi.org/10.1107/S2056989019008442/vn2147Na-Lasup7.rtv |
CCDC references: 1923003; 1923002; 1923001; 1923000; 1922999; 1922998
Key indicators
- Powder X-ray study
- T = 295 K
- Mean
![[sigma]](https://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(Si-O) = 0.009 Å - Mean (Si-O) = 0.009 Å
- Mean (Si-O) = 0.011 Å
- Mean (Si-O) = 0.011 Å
- Mean (Si-O) = 0.014 Å
- Mean (La-Si) = 0.000 Å
- Disorder in main residue
- R factor = 0.000
- wR factor = 0.000
- Data-to-parameter ratio = 0.0
checkCIF/PLATON results
No syntax errors found Datablock: Ca-La
Alert level A PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.33A From La2 6.29 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.21A From La2 5.91 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.16A From La1 5.86 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.08A From O4 5.83 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.19A From O2 5.73 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.31A From La2 5.70 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.25A From Ca2 5.39 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.16A From O2 5.18 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.39A From Ca2 5.18 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.27A From O3 5.15 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.40A From La1 4.79 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.35A From Si1 4.33 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.26A From O3 4.33 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.28A From Si1 4.19 eA-3 PLAT971_ALERT_2_A Check Calcd Resid. Dens. 1.12A From Si1 3.54 eA-3 PLAT972_ALERT_2_A Check Calcd Resid. Dens. 0.07A From Si1 -11.93 eA-3 PLAT972_ALERT_2_A Check Calcd Resid. Dens. 0.02A From O4 -7.35 eA-3 PLAT972_ALERT_2_A Check Calcd Resid. Dens. 0.23A From O2 -6.14 eA-3 PLAT972_ALERT_2_A Check Calcd Resid. Dens. 0.27A From O3 -6.10 eA-3 PLAT972_ALERT_2_A Check Calcd Resid. Dens. 0.36A From O1 -5.11 eA-3 PLAT972_ALERT_2_A Check Calcd Resid. Dens. 1.12A From O2 -4.07 eA-3 PLAT974_ALERT_2_A Check Calcd Negative Resid. Density on La2 -43.33 eA-3 PLAT974_ALERT_2_A Check Calcd Negative Resid. Density on Ca2 -43.33 eA-3 PLAT974_ALERT_2_A Check Calcd Negative Resid. Density on La1 -29.63 eA-3 PLAT974_ALERT_2_A Check Calcd Negative Resid. Density on Ca1 -29.63 eA-3
Alert level B PLAT971_ALERT_2_B Check Calcd Resid. Dens. 1.26A From O3 3.45 eA-3 PLAT971_ALERT_2_B Check Calcd Resid. Dens. 1.10A From O1 3.44 eA-3
Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ Please Check PLAT799_ALERT_4_C Numeric Label on Displacement Par. Record ...... ? Check PLAT971_ALERT_2_C Check Calcd Resid. Dens. 1.33A From O4 1.86 eA-3 PLAT972_ALERT_2_C Check Calcd Resid. Dens. 1.52A From O3 -2.40 eA-3 PLAT972_ALERT_2_C Check Calcd Resid. Dens. 1.45A From O3 -1.84 eA-3 PLAT972_ALERT_2_C Check Calcd Resid. Dens. 1.56A From O3 -1.84 eA-3 PLAT972_ALERT_2_C Check Calcd Resid. Dens. 1.55A From O1 -1.56 eA-3
Alert level G PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension 3 Info PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ... 2.00 Check PLAT143_ALERT_4_G s.u. on c - Axis Small or Missing .............. 0.00006 Ang. PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 2 Units PLAT300_ALERT_4_G Atom Site Occupancy of La1 Constrained at 0.552 Check PLAT300_ALERT_4_G Atom Site Occupancy of La2 Constrained at 0.965 Check PLAT300_ALERT_4_G Atom Site Occupancy of Ca1 Constrained at 0.448 Check PLAT300_ALERT_4_G Atom Site Occupancy of Ca2 Constrained at 0.035 Check PLAT301_ALERT_3_G Main Residue Disorder ..............(Resd 1 ) 31% Note PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd 2 ) 100% Note PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd 3 ) 100% Note PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT909_ALERT_3_G Percentage of I>2sig(I) Data at Theta(Max) Still 98% Note PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
25 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 15 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 32 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
Datablock: Ca-Nd
26 ALERT level A = Most likely a serious problem - resolve or explain 6 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 36 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
Datablock: Ca-Sm
25 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 31 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
Datablock: Ca-Eu
24 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 31 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
Datablock: Ca-Yb
37 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 41 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
Datablock: Na-La
31 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 17 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 9 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 40 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
Computing details top
For all structures, data collection: XRD Commander (Kienle & Jacob, 2003); cell refinement: TOPAS (Bruker, 2009); program(s) used to solve structure: TOPAS (Bruker, 2009); program(s) used to refine structure: TOPAS (Bruker, 2009); molecular graphics: VESTA (Momma & Izumi, 2011); software used to prepare material for publication: publCIF (Westrip, 2010).
Calcium lanthanum silicate oxyapatite (Ca-La) top
Crystal data top
| Ca2La8(SiO4)6O2 | Z = 1 |
| Mr = 1775.7 | Dx = 5.105 Mg m−3 |
| Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
| a = 9.65568 (7) Å | T = 295 K |
| c = 7.15323 (6) Å | white |
| V = 577.56 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top
| Bruker D8 Advance diffractometer | Data collection mode: reflection |
| Radiation source: sealed X-ray tube | Scan method: step |
| Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top
| Rp = 0.05 | Profile function: pseudo-Voigt |
| Rwp = 0.07 | 24 parameters |
| Rexp = 0.03 | Weighting scheme based on measured s.u.'s |
| RBragg = 0.03 | (Δ/σ)max < 0.001 |
| 6994 data points | Background function: Chebychev |
Special details top
Refinement. Beq were fixed as 1Å squared during refinement as they result high standard uncertainties |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Ca1 | 0.333333 | 0.666667 | −0.0033 (4) | 0.0127* | 0.448 |
| La1 | 0.333333 | 0.666667 | −0.0033 (4) | 0.0127* | 0.552 |
| Ca2 | 0.23167 (12) | −0.01384 (16) | 0.25 | 0.0127* | 0.035 |
| La2 | 0.23167 (12) | −0.01384 (16) | 0.25 | 0.0127* | 0.965 |
| Si1 | 0.4033 (6) | 0.3747 (7) | 0.25 | 0.0127* | |
| O1 | 0.3275 (10) | 0.4848 (10) | 0.25 | 0.0127* | |
| O2 | 0.5952 (12) | 0.4633 (10) | 0.25 | 0.0127* | |
| O3 | 0.3415 (6) | 0.2571 (6) | 0.0722 (7) | 0.0127* | |
| O4 | 0 | 0 | 0.25 | 0.0127* |
Geometric parameters (Å, º) top
| Ca1—Ca1i | 3.529 (4) | La1—O2vii | 2.456 (8) |
| Ca1—Ca1ii | 3.624 (4) | La1—O2viii | 2.456 (10) |
| Ca1—La1 | 0 | Ca2—Ca2iv | 3.995 (3) |
| Ca1—La1i | 3.529 (4) | Ca2—Ca2xi | 3.995 (2) |
| Ca1—La1ii | 3.624 (4) | Ca2—La2 | 0 |
| Ca1—Ca2iii | 4.098 (2) | Ca2—La2iv | 3.995 (3) |
| Ca1—Ca2iv | 4.0978 (18) | Ca2—La2xi | 3.995 (2) |
| Ca1—Ca2v | 4.098 (2) | Ca2—Si1 | 3.256 (6) |
| Ca1—Si1vi | 3.280 (6) | Ca2—O4 | 2.3067 (14) |
| Ca1—Si1vii | 3.280 (8) | La2—O2xii | 2.552 (9) |
| Ca1—Si1viii | 3.280 (5) | La2—O3xiii | 2.450 (6) |
| La1—La1i | 3.529 (4) | La2—O3xiv | 2.450 (6) |
| La1—La1ii | 3.624 (4) | La2—O4 | 2.3067 (14) |
| La1—O1 | 2.504 (8) | Si1—O1 | 1.563 (14) |
| La1—O1ix | 2.504 (6) | Si1—O2 | 1.606 (12) |
| La1—O1x | 2.504 (10) | Si1—O3 | 1.608 (6) |
| La1—O2vi | 2.456 (9) | Si1—O3ii | 1.608 (6) |
| Ca1i—Ca1—Ca1ii | 180 | O2vi—La1—O2vii | 74.1 (4) |
| Ca1i—Ca1—La1 | 0 | O2vi—La1—O2viii | 74.1 (4) |
| Ca1i—Ca1—La1i | 0 | O2vii—La1—O2viii | 74.1 (3) |
| Ca1i—Ca1—La1ii | 180 | Ca1xv—Ca2—Ca1xvi | 52.48 (5) |
| Ca1i—Ca1—Ca2iii | 116.24 (4) | Ca1xv—Ca2—Ca2iv | 150.60 (4) |
| Ca1i—Ca1—Ca2iv | 116.24 (4) | Ca1xv—Ca2—Ca2xi | 104.54 (3) |
| Ca1i—Ca1—Ca2v | 116.24 (4) | Ca1xv—Ca2—La2 | 0 |
| Ca1i—Ca1—Si1vi | 57.45 (8) | Ca1xv—Ca2—La2iv | 150.60 (4) |
| Ca1i—Ca1—Si1vii | 57.45 (10) | Ca1xv—Ca2—La2xi | 104.54 (3) |
| Ca1i—Ca1—Si1viii | 57.45 (7) | Ca1xv—Ca2—Si1 | 133.78 (10) |
| Ca1ii—Ca1—La1 | 0 | Ca1xv—Ca2—O4 | 130.38 (3) |
| Ca1ii—Ca1—La1i | 180 | Ca1xvi—Ca2—Ca2iv | 150.60 (4) |
| Ca1ii—Ca1—La1ii | 0 | Ca1xvi—Ca2—Ca2xi | 104.54 (3) |
| Ca1ii—Ca1—Ca2iii | 63.76 (4) | Ca1xvi—Ca2—La2 | 0 |
| Ca1ii—Ca1—Ca2iv | 63.76 (4) | Ca1xvi—Ca2—La2iv | 150.60 (4) |
| Ca1ii—Ca1—Ca2v | 63.76 (4) | Ca1xvi—Ca2—La2xi | 104.54 (3) |
| Ca1ii—Ca1—Si1vi | 122.55 (8) | Ca1xvi—Ca2—Si1 | 133.78 (10) |
| Ca1ii—Ca1—Si1vii | 122.55 (10) | Ca1xvi—Ca2—O4 | 130.38 (3) |
| Ca1ii—Ca1—Si1viii | 122.55 (7) | Ca2iv—Ca2—Ca2xi | 60.00 (3) |
| La1—Ca1—La1i | 0 | Ca2iv—Ca2—La2 | 0 |
| La1—Ca1—La1ii | 0 | Ca2iv—Ca2—La2iv | 0 |
| La1—Ca1—Ca2iii | 0 | Ca2iv—Ca2—La2xi | 60.00 (3) |
| La1—Ca1—Ca2iv | 0 | Ca2iv—Ca2—Si1 | 53.27 (12) |
| La1—Ca1—Ca2v | 0 | Ca2iv—Ca2—O4 | 30.00 (3) |
| La1—Ca1—Si1vi | 0 | Ca2xi—Ca2—La2 | 0 |
| La1—Ca1—Si1vii | 0 | Ca2xi—Ca2—La2iv | 60.00 (3) |
| La1—Ca1—Si1viii | 0 | Ca2xi—Ca2—La2xi | 0 |
| La1i—Ca1—La1ii | 180 | Ca2xi—Ca2—Si1 | 113.27 (12) |
| La1i—Ca1—Ca2iii | 116.24 (4) | Ca2xi—Ca2—O4 | 30.00 (2) |
| La1i—Ca1—Ca2iv | 116.24 (4) | La2—Ca2—La2iv | 0 |
| La1i—Ca1—Ca2v | 116.24 (4) | La2—Ca2—La2xi | 0 |
| La1i—Ca1—Si1vi | 57.45 (8) | La2—Ca2—Si1 | 0 |
| La1i—Ca1—Si1vii | 57.45 (10) | La2—Ca2—O4 | 0 |
| La1i—Ca1—Si1viii | 57.45 (7) | La2iv—Ca2—La2xi | 60.00 (3) |
| La1ii—Ca1—Ca2iii | 63.76 (4) | La2iv—Ca2—Si1 | 53.27 (12) |
| La1ii—Ca1—Ca2iv | 63.76 (4) | La2iv—Ca2—O4 | 30.00 (3) |
| La1ii—Ca1—Ca2v | 63.76 (4) | La2xi—Ca2—Si1 | 113.27 (12) |
| La1ii—Ca1—Si1vi | 122.55 (8) | La2xi—Ca2—O4 | 30.00 (2) |
| La1ii—Ca1—Si1vii | 122.55 (10) | Si1—Ca2—O4 | 83.27 (12) |
| La1ii—Ca1—Si1viii | 122.55 (7) | Ca2—La2—Ca2iv | 0 |
| Ca2iii—Ca1—Ca2iv | 101.93 (5) | Ca2—La2—Ca2xi | 0 |
| Ca2iii—Ca1—Ca2v | 101.93 (5) | Ca2—La2—O2xii | 0 |
| Ca2iii—Ca1—Si1vi | 145.27 (10) | Ca2—La2—O3xiii | 0 |
| Ca2iii—Ca1—Si1vii | 61.97 (11) | Ca2—La2—O3xiv | 0 |
| Ca2iii—Ca1—Si1viii | 111.22 (16) | Ca2—La2—O4 | 0 |
| Ca2iv—Ca1—Ca2v | 101.93 (5) | Ca2iv—La2—Ca2xi | 60.00 (3) |
| Ca2iv—Ca1—Si1vi | 111.22 (11) | Ca2iv—La2—O2xii | 118.6 (4) |
| Ca2iv—Ca1—Si1vii | 145.27 (11) | Ca2iv—La2—O3xiii | 109.4 (2) |
| Ca2iv—Ca1—Si1viii | 61.97 (5) | Ca2iv—La2—O3xiv | 109.4 (2) |
| Ca2v—Ca1—Si1vi | 61.97 (6) | Ca2iv—La2—O4 | 30.00 (3) |
| Ca2v—Ca1—Si1vii | 111.22 (10) | Ca2xi—La2—O2xii | 178.6 (4) |
| Ca2v—Ca1—Si1viii | 145.27 (16) | Ca2xi—La2—O3xiii | 95.92 (12) |
| Si1vi—Ca1—Si1vii | 93.77 (17) | Ca2xi—La2—O3xiv | 95.92 (12) |
| Si1vi—Ca1—Si1viii | 93.77 (16) | Ca2xi—La2—O4 | 30.00 (2) |
| Si1vii—Ca1—Si1viii | 93.77 (14) | O2xii—La2—O3xiii | 84.54 (17) |
| Ca1—La1—Ca1i | 0 | O2xii—La2—O3xiv | 84.54 (17) |
| Ca1—La1—Ca1ii | 0 | O2xii—La2—O4 | 148.6 (4) |
| Ca1—La1—La1i | 0 | O3xiii—La2—O3xiv | 140.3 (3) |
| Ca1—La1—La1ii | 0 | O3xiii—La2—O4 | 104.54 (16) |
| Ca1—La1—O1 | 0 | O3xiv—La2—O4 | 104.54 (16) |
| Ca1—La1—O1ix | 0 | Ca1xvii—Si1—Ca1xviii | 65.10 (15) |
| Ca1—La1—O1x | 0 | Ca1xvii—Si1—Ca2 | 80.71 (16) |
| Ca1—La1—O2vi | 0 | Ca1xvii—Si1—O1 | 137.6 (2) |
| Ca1—La1—O2vii | 0 | Ca1xvii—Si1—O2 | 46.1 (3) |
| Ca1—La1—O2viii | 0 | Ca1xvii—Si1—O3 | 112.1 (4) |
| Ca1i—La1—Ca1ii | 180 | Ca1xvii—Si1—O3ii | 61.6 (3) |
| Ca1i—La1—La1i | 0 | Ca1xviii—Si1—Ca2 | 80.71 (16) |
| Ca1i—La1—La1ii | 180 | Ca1xviii—Si1—O1 | 137.6 (2) |
| Ca1i—La1—O1 | 136.35 (18) | Ca1xviii—Si1—O2 | 46.1 (3) |
| Ca1i—La1—O1ix | 136.35 (14) | Ca1xviii—Si1—O3 | 61.6 (3) |
| Ca1i—La1—O1x | 136.3 (2) | Ca1xviii—Si1—O3ii | 112.1 (4) |
| Ca1i—La1—O2vi | 44.1 (2) | Ca2—Si1—O1 | 129.9 (3) |
| Ca1i—La1—O2vii | 44.1 (2) | Ca2—Si1—O2 | 113.6 (5) |
| Ca1i—La1—O2viii | 44.1 (2) | Ca2—Si1—O3 | 52.5 (3) |
| Ca1ii—La1—La1i | 180 | Ca2—Si1—O3ii | 52.5 (3) |
| Ca1ii—La1—La1ii | 0 | O1—Si1—O2 | 116.5 (6) |
| Ca1ii—La1—O1 | 43.65 (18) | O1—Si1—O3 | 110.2 (4) |
| Ca1ii—La1—O1ix | 43.65 (14) | O1—Si1—O3ii | 110.2 (4) |
| Ca1ii—La1—O1x | 43.7 (2) | O2—Si1—O3 | 107.3 (4) |
| Ca1ii—La1—O2vi | 135.9 (2) | O2—Si1—O3ii | 107.3 (4) |
| Ca1ii—La1—O2vii | 135.9 (2) | O3—Si1—O3ii | 104.6 (4) |
| Ca1ii—La1—O2viii | 135.9 (2) | La1—O1—La1ii | 92.7 (4) |
| La1i—La1—La1ii | 180 | La1—O1—Si1 | 128.5 (3) |
| La1i—La1—O1 | 136.35 (18) | La1ii—O1—Si1 | 128.5 (3) |
| La1i—La1—O1ix | 136.35 (14) | La1xvii—O2—La1xviii | 91.9 (4) |
| La1i—La1—O1x | 136.3 (2) | La1xvii—O2—La2v | 115.4 (2) |
| La1i—La1—O2vi | 44.1 (2) | La1xvii—O2—Si1 | 105.8 (3) |
| La1i—La1—O2vii | 44.1 (2) | La1xviii—O2—La2v | 115.4 (2) |
| La1i—La1—O2viii | 44.1 (2) | La1xviii—O2—Si1 | 105.8 (3) |
| La1ii—La1—O1 | 43.65 (18) | La2v—O2—Si1 | 118.9 (7) |
| La1ii—La1—O1ix | 43.65 (14) | La2viii—O3—Si1 | 143.4 (4) |
| La1ii—La1—O1x | 43.7 (2) | Ca2—O4—Ca2iv | 120.00 (5) |
| La1ii—La1—O2vi | 135.9 (2) | Ca2—O4—Ca2xi | 120.00 (6) |
| La1ii—La1—O2vii | 135.9 (2) | Ca2—O4—La2 | 0 |
| La1ii—La1—O2viii | 135.9 (2) | Ca2—O4—La2iv | 120.00 (5) |
| O1—La1—O1ix | 73.4 (3) | Ca2—O4—La2xi | 120.00 (6) |
| O1—La1—O1x | 73.4 (3) | Ca2iv—O4—Ca2xi | 120.00 (6) |
| O1—La1—O2vi | 94.3 (3) | Ca2iv—O4—La2 | 120.00 (5) |
| O1—La1—O2vii | 154.0 (3) | Ca2iv—O4—La2iv | 0 |
| O1—La1—O2viii | 125.9 (3) | Ca2iv—O4—La2xi | 120.00 (6) |
| O1ix—La1—O1x | 73.4 (3) | Ca2xi—O4—La2 | 120.00 (6) |
| O1ix—La1—O2vi | 125.9 (4) | Ca2xi—O4—La2iv | 120.00 (6) |
| O1ix—La1—O2vii | 94.3 (2) | Ca2xi—O4—La2xi | 0 |
| O1ix—La1—O2viii | 154.0 (5) | La2—O4—La2iv | 120.00 (5) |
| O1x—La1—O2vi | 154.0 (2) | La2—O4—La2xi | 120.00 (6) |
| O1x—La1—O2vii | 125.9 (4) | La2iv—O4—La2xi | 120.00 (6) |
| O1x—La1—O2viii | 94.3 (4) |
| Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) −y+1, x−y, z; (xiii) y, −x+y, z+1/2; (xiv) y, −x+y, −z; (xv) x, y−1, z; (xvi) x, y−1, −z+1/2; (xvii) −x+1, −y+1, z+1/2; (xviii) −x+1, −y+1, −z. |
Calcium neodymium silicate oxyapatite (Ca-Nd) top
Crystal data top
| Ca2Nd8(SiO4)6O2 | Z = 1 |
| Mr = 1818.4 | Dx = 5.474 Mg m−3 |
| Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
| a = 9.52414 (5) Å | T = 295 K |
| c = 7.02213 (5) Å | blue_violet |
| V = 551.63 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top
| Bruker D8 Advance diffractometer | Data collection mode: reflection |
| Radiation source: sealed X-ray tube | Scan method: step |
| Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top
| Rp = 0.05 | 26 parameters |
| Rwp = 0.06 | Weighting scheme based on measured s.u.'s |
| Rexp = 0.03 | (Δ/σ)max = 0.001 |
| RBragg = 0.03 | Background function: Chebychev |
| 6994 data points | Preferred orientation correction: spherical harmonic |
| Profile function: pseudo-Voigt |
Special details top
Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Ca1 | 0.333333 | 0.666667 | −0.0015 (6) | 0.0127* | 0.448 |
| Nd1 | 0.333333 | 0.666667 | −0.0015 (6) | 0.0127* | 0.552 |
| Ca2 | 0.23298 (13) | −0.0105 (2) | 0.25 | 0.0127* | 0.035 |
| Nd2 | 0.23298 (13) | −0.0105 (2) | 0.25 | 0.0127* | 0.965 |
| Si1 | 0.4017 (6) | 0.3747 (7) | 0.25 | 0.0127* | |
| O1 | 0.3225 (11) | 0.4858 (11) | 0.25 | 0.0127* | |
| O2 | 0.5984 (12) | 0.4765 (11) | 0.25 | 0.0127* | |
| O3 | 0.3343 (6) | 0.2513 (7) | 0.0773 (7) | 0.0127* | |
| O4 | 0 | 0 | 0.25 | 0.0127* |
Geometric parameters (Å, º) top
| Ca1—Ca1i | 3.490 (6) | Ca2—Ca2iv | 3.933 (3) |
| Ca1—Ca1ii | 3.532 (6) | Ca2—Ca2xi | 3.933 (2) |
| Ca1—Nd1 | 0 | Ca2—Nd2 | 0 |
| Ca1—Nd1i | 3.490 (6) | Ca2—Nd2iv | 3.933 (3) |
| Ca1—Nd1ii | 3.532 (6) | Ca2—Nd2xi | 3.933 (2) |
| Ca1—Ca2iii | 4.053 (3) | Ca2—Si1 | 3.185 (6) |
| Ca1—Ca2iv | 4.053 (2) | Ca2—Si1xi | 3.284 (5) |
| Ca1—Ca2v | 4.053 (3) | Ca2—O2xii | 2.399 (9) |
| Ca1—Si1vi | 3.250 (6) | Ca2—O3xiii | 2.431 (6) |
| Ca1—Si1vii | 3.250 (8) | Ca2—O3xiv | 2.431 (6) |
| Ca1—Si1viii | 3.250 (5) | Ca2—O4 | 2.2706 (16) |
| Ca1—O1 | 2.433 (8) | Nd2—O2xii | 2.399 (9) |
| Ca1—O1ix | 2.433 (7) | Nd2—O3xiii | 2.431 (6) |
| Ca1—O1x | 2.433 (11) | Nd2—O3xiv | 2.431 (6) |
| Nd1—Nd1i | 3.490 (6) | Nd2—O4 | 2.2706 (16) |
| Nd1—Nd1ii | 3.532 (6) | Si1—O1 | 1.577 (15) |
| Nd1—O1 | 2.433 (8) | Si1—O2 | 1.623 (11) |
| Nd1—O1ix | 2.433 (7) | Si1—O3 | 1.584 (6) |
| Nd1—O1x | 2.433 (11) | Si1—O3ii | 1.584 (6) |
| Ca1i—Ca1—Ca1ii | 180 | Ca1xvi—Ca2—O3xiii | 45.2 (2) |
| Ca1i—Ca1—Nd1 | 0 | Ca1xvi—Ca2—O3xiv | 96.8 (2) |
| Ca1i—Ca1—Nd1i | 0 | Ca1xvi—Ca2—O4 | 129.78 (4) |
| Ca1i—Ca1—Nd1ii | 180 | Ca2iv—Ca2—Ca2xi | 60.00 (4) |
| Ca1i—Ca1—Ca2iii | 115.83 (6) | Ca2iv—Ca2—Nd2 | 0 |
| Ca1i—Ca1—Ca2iv | 115.83 (5) | Ca2iv—Ca2—Nd2iv | 0 |
| Ca1i—Ca1—Ca2v | 115.83 (6) | Ca2iv—Ca2—Nd2xi | 60.00 (4) |
| Ca1i—Ca1—Si1vi | 57.53 (9) | Ca2iv—Ca2—Si1 | 53.72 (12) |
| Ca1i—Ca1—Si1vii | 57.53 (11) | Ca2iv—Ca2—Si1xi | 111.43 (17) |
| Ca1i—Ca1—Si1viii | 57.53 (8) | Ca2iv—Ca2—O2xii | 120.7 (4) |
| Ca1i—Ca1—O1 | 136.5 (2) | Ca2iv—Ca2—O3xiii | 108.2 (2) |
| Ca1i—Ca1—O1ix | 136.54 (17) | Ca2iv—Ca2—O3xiv | 108.2 (2) |
| Ca1i—Ca1—O1x | 136.5 (3) | Ca2iv—Ca2—O4 | 30.00 (4) |
| Ca1ii—Ca1—Nd1 | 0 | Ca2xi—Ca2—Nd2 | 0 |
| Ca1ii—Ca1—Nd1i | 180 | Ca2xi—Ca2—Nd2iv | 60.00 (4) |
| Ca1ii—Ca1—Nd1ii | 0 | Ca2xi—Ca2—Nd2xi | 0 |
| Ca1ii—Ca1—Ca2iii | 64.17 (6) | Ca2xi—Ca2—Si1 | 113.72 (13) |
| Ca1ii—Ca1—Ca2iv | 64.17 (5) | Ca2xi—Ca2—Si1xi | 51.43 (17) |
| Ca1ii—Ca1—Ca2v | 64.17 (6) | Ca2xi—Ca2—O2xii | 179.3 (4) |
| Ca1ii—Ca1—Si1vi | 122.47 (9) | Ca2xi—Ca2—O3xiii | 94.26 (14) |
| Ca1ii—Ca1—Si1vii | 122.47 (11) | Ca2xi—Ca2—O3xiv | 94.26 (14) |
| Ca1ii—Ca1—Si1viii | 122.47 (8) | Ca2xi—Ca2—O4 | 30.00 (3) |
| Ca1ii—Ca1—O1 | 43.5 (2) | Nd2—Ca2—Nd2iv | 0 |
| Ca1ii—Ca1—O1ix | 43.46 (17) | Nd2—Ca2—Nd2xi | 0 |
| Ca1ii—Ca1—O1x | 43.5 (3) | Nd2—Ca2—Si1 | 0 |
| Nd1—Ca1—Nd1i | 0 | Nd2—Ca2—Si1xi | 0 |
| Nd1—Ca1—Nd1ii | 0 | Nd2—Ca2—O2xii | 0 |
| Nd1—Ca1—Ca2iii | 0 | Nd2—Ca2—O3xiii | 0 |
| Nd1—Ca1—Ca2iv | 0 | Nd2—Ca2—O3xiv | 0 |
| Nd1—Ca1—Ca2v | 0 | Nd2—Ca2—O4 | 0 |
| Nd1—Ca1—Si1vi | 0 | Nd2iv—Ca2—Nd2xi | 60.00 (4) |
| Nd1—Ca1—Si1vii | 0 | Nd2iv—Ca2—Si1 | 53.72 (12) |
| Nd1—Ca1—Si1viii | 0 | Nd2iv—Ca2—Si1xi | 111.43 (17) |
| Nd1—Ca1—O1 | 0 | Nd2iv—Ca2—O2xii | 120.7 (4) |
| Nd1—Ca1—O1ix | 0 | Nd2iv—Ca2—O3xiii | 108.2 (2) |
| Nd1—Ca1—O1x | 0 | Nd2iv—Ca2—O3xiv | 108.2 (2) |
| Nd1i—Ca1—Nd1ii | 180 | Nd2iv—Ca2—O4 | 30.00 (4) |
| Nd1i—Ca1—Ca2iii | 115.83 (6) | Nd2xi—Ca2—Si1 | 113.72 (13) |
| Nd1i—Ca1—Ca2iv | 115.83 (5) | Nd2xi—Ca2—Si1xi | 51.43 (17) |
| Nd1i—Ca1—Ca2v | 115.83 (6) | Nd2xi—Ca2—O2xii | 179.3 (4) |
| Nd1i—Ca1—Si1vi | 57.53 (9) | Nd2xi—Ca2—O3xiii | 94.26 (14) |
| Nd1i—Ca1—Si1vii | 57.53 (11) | Nd2xi—Ca2—O3xiv | 94.26 (14) |
| Nd1i—Ca1—Si1viii | 57.53 (8) | Nd2xi—Ca2—O4 | 30.00 (3) |
| Nd1i—Ca1—O1 | 136.5 (2) | Si1—Ca2—Si1xi | 165.1 (2) |
| Nd1i—Ca1—O1ix | 136.54 (17) | Si1—Ca2—O2xii | 67.0 (4) |
| Nd1i—Ca1—O1x | 136.5 (3) | Si1—Ca2—O3xiii | 105.11 (18) |
| Nd1ii—Ca1—Ca2iii | 64.17 (6) | Si1—Ca2—O3xiv | 105.11 (18) |
| Nd1ii—Ca1—Ca2iv | 64.17 (5) | Si1—Ca2—O4 | 83.72 (13) |
| Nd1ii—Ca1—Ca2v | 64.17 (6) | Si1xi—Ca2—O2xii | 127.8 (4) |
| Nd1ii—Ca1—Si1vi | 122.47 (9) | Si1xi—Ca2—O3xiii | 78.36 (16) |
| Nd1ii—Ca1—Si1vii | 122.47 (11) | Si1xi—Ca2—O3xiv | 78.36 (16) |
| Nd1ii—Ca1—Si1viii | 122.47 (8) | Si1xi—Ca2—O4 | 81.43 (17) |
| Nd1ii—Ca1—O1 | 43.5 (2) | O2xii—Ca2—O3xiii | 85.50 (19) |
| Nd1ii—Ca1—O1ix | 43.46 (17) | O2xii—Ca2—O3xiv | 85.50 (19) |
| Nd1ii—Ca1—O1x | 43.5 (3) | O2xii—Ca2—O4 | 150.7 (4) |
| Ca2iii—Ca1—Ca2iv | 102.43 (7) | O3xiii—Ca2—O3xiv | 142.0 (3) |
| Ca2iii—Ca1—Ca2v | 102.43 (7) | O3xiii—Ca2—O4 | 102.89 (19) |
| Ca2iii—Ca1—Si1vi | 144.87 (10) | O3xiv—Ca2—O4 | 102.89 (19) |
| Ca2iii—Ca1—Si1vii | 61.42 (11) | Ca2—Nd2—Ca2iv | 0 |
| Ca2iii—Ca1—Si1viii | 111.25 (16) | Ca2—Nd2—Ca2xi | 0 |
| Ca2iii—Ca1—O1 | 106.2 (3) | Ca2—Nd2—O2xii | 0 |
| Ca2iii—Ca1—O1ix | 62.3 (4) | Ca2—Nd2—O3xiii | 0 |
| Ca2iii—Ca1—O1x | 40.3 (2) | Ca2—Nd2—O3xiv | 0 |
| Ca2iv—Ca1—Ca2v | 102.42 (7) | Ca2—Nd2—O4 | 0 |
| Ca2iv—Ca1—Si1vi | 111.25 (11) | Ca2iv—Nd2—Ca2xi | 60.00 (4) |
| Ca2iv—Ca1—Si1vii | 144.87 (12) | Ca2iv—Nd2—O2xii | 120.7 (4) |
| Ca2iv—Ca1—Si1viii | 61.42 (5) | Ca2iv—Nd2—O3xiii | 108.2 (2) |
| Ca2iv—Ca1—O1 | 40.3 (2) | Ca2iv—Nd2—O3xiv | 108.2 (2) |
| Ca2iv—Ca1—O1ix | 106.2 (2) | Ca2iv—Nd2—O4 | 30.00 (4) |
| Ca2iv—Ca1—O1x | 62.3 (2) | Ca2xi—Nd2—O2xii | 179.3 (4) |
| Ca2v—Ca1—Si1vi | 61.42 (6) | Ca2xi—Nd2—O3xiii | 94.26 (14) |
| Ca2v—Ca1—Si1vii | 111.25 (10) | Ca2xi—Nd2—O3xiv | 94.26 (14) |
| Ca2v—Ca1—Si1viii | 144.87 (16) | Ca2xi—Nd2—O4 | 30.00 (3) |
| Ca2v—Ca1—O1 | 62.3 (2) | O2xii—Nd2—O3xiii | 85.50 (19) |
| Ca2v—Ca1—O1ix | 40.3 (4) | O2xii—Nd2—O3xiv | 85.50 (19) |
| Ca2v—Ca1—O1x | 106.2 (3) | O2xii—Nd2—O4 | 150.7 (4) |
| Si1vi—Ca1—Si1vii | 93.88 (18) | O3xiii—Nd2—O3xiv | 142.0 (3) |
| Si1vi—Ca1—Si1viii | 93.88 (17) | O3xiii—Nd2—O4 | 102.89 (19) |
| Si1vi—Ca1—O1 | 93.7 (3) | O3xiv—Nd2—O4 | 102.89 (19) |
| Si1vi—Ca1—O1ix | 97.8 (3) | Ca1xvii—Si1—Ca1xviii | 64.95 (16) |
| Si1vi—Ca1—O1x | 165.6 (3) | Ca1xvii—Si1—Ca2 | 80.53 (16) |
| Si1vii—Ca1—Si1viii | 93.88 (15) | Ca1xvii—Si1—Ca2iv | 139.09 (12) |
| Si1vii—Ca1—O1 | 165.6 (2) | Ca1xvii—Si1—O1 | 137.9 (2) |
| Si1vii—Ca1—O1ix | 93.7 (3) | Ca1xvii—Si1—O2 | 48.5 (3) |
| Si1vii—Ca1—O1x | 97.8 (3) | Ca1xvii—Si1—O3 | 111.9 (4) |
| Si1viii—Ca1—O1 | 97.83 (18) | Ca1xvii—Si1—O3ii | 63.3 (3) |
| Si1viii—Ca1—O1ix | 165.6 (2) | Ca1xviii—Si1—Ca2 | 80.53 (16) |
| Si1viii—Ca1—O1x | 93.7 (2) | Ca1xviii—Si1—Ca2iv | 139.09 (12) |
| O1—Ca1—O1ix | 73.1 (3) | Ca1xviii—Si1—O1 | 137.9 (2) |
| O1—Ca1—O1x | 73.1 (4) | Ca1xviii—Si1—O2 | 48.5 (3) |
| O1ix—Ca1—O1x | 73.1 (3) | Ca1xviii—Si1—O3 | 63.3 (3) |
| Ca1—Nd1—Ca1i | 0 | Ca1xviii—Si1—O3ii | 111.9 (4) |
| Ca1—Nd1—Ca1ii | 0 | Ca2—Si1—Ca2iv | 74.85 (11) |
| Ca1—Nd1—Nd1i | 0 | Ca2—Si1—O1 | 129.6 (4) |
| Ca1—Nd1—Nd1ii | 0 | Ca2—Si1—O2 | 117.1 (6) |
| Ca1—Nd1—O1 | 0 | Ca2—Si1—O3 | 50.3 (3) |
| Ca1—Nd1—O1ix | 0 | Ca2—Si1—O3ii | 50.3 (3) |
| Ca1—Nd1—O1x | 0 | Ca2iv—Si1—O1 | 54.8 (3) |
| Ca1i—Nd1—Ca1ii | 180 | Ca2iv—Si1—O2 | 168.1 (6) |
| Ca1i—Nd1—Nd1i | 0 | Ca2iv—Si1—O3 | 75.9 (3) |
| Ca1i—Nd1—Nd1ii | 180 | Ca2iv—Si1—O3ii | 75.9 (3) |
| Ca1i—Nd1—O1 | 136.5 (2) | O1—Si1—O2 | 113.3 (6) |
| Ca1i—Nd1—O1ix | 136.54 (17) | O1—Si1—O3 | 110.2 (4) |
| Ca1i—Nd1—O1x | 136.5 (3) | O1—Si1—O3ii | 110.2 (4) |
| Ca1ii—Nd1—Nd1i | 180 | O2—Si1—O3 | 111.2 (4) |
| Ca1ii—Nd1—Nd1ii | 0 | O2—Si1—O3ii | 111.2 (4) |
| Ca1ii—Nd1—O1 | 43.5 (2) | O3—Si1—O3ii | 99.9 (4) |
| Ca1ii—Nd1—O1ix | 43.46 (17) | Ca1—O1—Ca1ii | 93.1 (4) |
| Ca1ii—Nd1—O1x | 43.5 (3) | Ca1—O1—Nd1 | 0 |
| Nd1i—Nd1—Nd1ii | 180 | Ca1—O1—Nd1ii | 93.1 (4) |
| Nd1i—Nd1—O1 | 136.5 (2) | Ca1—O1—Si1 | 127.6 (3) |
| Nd1i—Nd1—O1ix | 136.54 (17) | Ca1ii—O1—Nd1 | 93.1 (4) |
| Nd1i—Nd1—O1x | 136.5 (3) | Ca1ii—O1—Nd1ii | 0 |
| Nd1ii—Nd1—O1 | 43.5 (2) | Ca1ii—O1—Si1 | 127.6 (3) |
| Nd1ii—Nd1—O1ix | 43.46 (17) | Nd1—O1—Nd1ii | 93.1 (4) |
| Nd1ii—Nd1—O1x | 43.5 (3) | Nd1—O1—Si1 | 127.6 (3) |
| O1—Nd1—O1ix | 73.1 (3) | Nd1ii—O1—Si1 | 127.6 (3) |
| O1—Nd1—O1x | 73.1 (4) | Ca2v—O2—Nd2v | 0 |
| O1ix—Nd1—O1x | 73.1 (3) | Ca2v—O2—Si1 | 124.1 (7) |
| Ca1xv—Ca2—Ca1xvi | 51.67 (8) | Nd2v—O2—Si1 | 124.1 (7) |
| Ca1xv—Ca2—Ca2iv | 150.53 (5) | Ca2viii—O3—Nd2viii | 0 |
| Ca1xv—Ca2—Ca2xi | 103.74 (4) | Ca2viii—O3—Si1 | 140.8 (5) |
| Ca1xv—Ca2—Nd2 | 0 | Nd2viii—O3—Si1 | 140.8 (5) |
| Ca1xv—Ca2—Nd2iv | 150.53 (5) | Ca2—O4—Ca2iv | 120.00 (6) |
| Ca1xv—Ca2—Nd2xi | 103.74 (4) | Ca2—O4—Ca2xi | 120.00 (7) |
| Ca1xv—Ca2—Si1 | 134.37 (10) | Ca2—O4—Nd2 | 0 |
| Ca1xv—Ca2—Si1xi | 57.95 (14) | Ca2—O4—Nd2iv | 120.00 (6) |
| Ca1xv—Ca2—O2xii | 75.6 (3) | Ca2—O4—Nd2xi | 120.00 (7) |
| Ca1xv—Ca2—O3xiii | 96.8 (2) | Ca2iv—O4—Ca2xi | 120.00 (7) |
| Ca1xv—Ca2—O3xiv | 45.2 (2) | Ca2iv—O4—Nd2 | 120.00 (6) |
| Ca1xv—Ca2—O4 | 129.78 (4) | Ca2iv—O4—Nd2iv | 0 |
| Ca1xvi—Ca2—Ca2iv | 150.53 (5) | Ca2iv—O4—Nd2xi | 120.00 (7) |
| Ca1xvi—Ca2—Ca2xi | 103.74 (4) | Ca2xi—O4—Nd2 | 120.00 (7) |
| Ca1xvi—Ca2—Nd2 | 0 | Ca2xi—O4—Nd2iv | 120.00 (7) |
| Ca1xvi—Ca2—Nd2iv | 150.53 (5) | Ca2xi—O4—Nd2xi | 0 |
| Ca1xvi—Ca2—Nd2xi | 103.74 (4) | Nd2—O4—Nd2iv | 120.00 (6) |
| Ca1xvi—Ca2—Si1 | 134.37 (10) | Nd2—O4—Nd2xi | 120.00 (7) |
| Ca1xvi—Ca2—Si1xi | 57.95 (14) | Nd2iv—O4—Nd2xi | 120.00 (7) |
| Ca1xvi—Ca2—O2xii | 75.6 (3) |
| Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) −y+1, x−y, z; (xiii) y, −x+y, z+1/2; (xiv) y, −x+y, −z; (xv) x, y−1, z; (xvi) x, y−1, −z+1/2; (xvii) −x+1, −y+1, z+1/2; (xviii) −x+1, −y+1, −z. |
Calcium samarium silicate oxyapatite (Ca-Sm) top
Crystal data top
| Ca2Sm8(SiO4)6O2 | Z = 1 |
| Mr = 1867.3 | Dx = 5.750 Mg m−3 |
| Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
| a = 9.46696 (6) Å | T = 295 K |
| c = 6.94810 (5) Å | yellow_gray |
| V = 539.28 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top
| Bruker D8 Advance diffractometer | Data collection mode: reflection |
| Radiation source: sealed X-ray tube | Scan method: step |
| Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top
| Rp = 0.04 | 26 parameters |
| Rwp = 0.06 | Weighting scheme based on measured s.u.'s |
| Rexp = 0.03 | (Δ/σ)max = 0.013 |
| RBragg = 0.04 | Background function: Chebychev |
| 6994 data points | Preferred orientation correction: spherical harmonic |
| Profile function: pseudo-Voigt |
Special details top
Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Ca1 | 0.333333 | 0.666667 | −0.0007 (7) | 0.0127* | 0.448 |
| Sm1 | 0.333333 | 0.666667 | −0.0007 (7) | 0.0127* | 0.552 |
| Ca2 | 0.23285 (16) | −0.0082 (3) | 0.25 | 0.0127* | 0.035 |
| Sm2 | 0.23285 (16) | −0.0082 (3) | 0.25 | 0.0127* | 0.965 |
| Si1 | 0.3996 (7) | 0.3727 (8) | 0.25 | 0.0127* | |
| O1 | 0.3267 (12) | 0.4885 (12) | 0.25 | 0.0127* | |
| O2 | 0.5929 (13) | 0.4699 (12) | 0.25 | 0.0127* | |
| O3 | 0.3402 (7) | 0.2520 (7) | 0.0699 (8) | 0.0127* | |
| O4 | 0 | 0 | 0.25 | 0.0127* |
Geometric parameters (Å, º) top
| Ca1—Ca1i | 3.464 (7) | Ca2—Ca2xii | 4.1359 (14) |
| Ca1—Ca1ii | 3.484 (7) | Ca2—Ca2xiii | 4.1359 (14) |
| Ca1—Sm1 | 0 | Ca2—Ca2viii | 4.136 (2) |
| Ca1—Sm1i | 3.464 (7) | Ca2—Ca2xiv | 4.136 (2) |
| Ca1—Sm1ii | 3.484 (7) | Ca2—Sm2 | 0 |
| Ca1—Ca2iii | 4.042 (3) | Ca2—Sm2iv | 3.887 (5) |
| Ca1—Ca2iv | 4.042 (3) | Ca2—Sm2xi | 3.887 (3) |
| Ca1—Ca2v | 4.042 (4) | Ca2—Si1 | 3.131 (7) |
| Ca1—Ca2vi | 4.128 (2) | Ca2—Si1xi | 3.266 (6) |
| Ca1—Ca2vii | 4.128 (4) | Ca2—O2xv | 2.443 (10) |
| Ca1—Ca2viii | 4.128 (3) | Ca2—O3xiii | 2.384 (6) |
| Ca1—Si1vi | 3.236 (7) | Ca2—O3xvi | 2.384 (6) |
| Ca1—Si1vii | 3.236 (9) | Ca2—O4 | 2.244 (2) |
| Ca1—Si1viii | 3.236 (6) | Sm2—Si1 | 3.131 (7) |
| Ca1—O1 | 2.404 (9) | Sm2—O3xiii | 2.384 (6) |
| Ca1—O1ix | 2.404 (8) | Sm2—O3xvi | 2.384 (6) |
| Ca1—O1x | 2.404 (12) | Sm2—O4 | 2.244 (2) |
| Sm1—Sm1i | 3.464 (7) | Si1—O1 | 1.560 (16) |
| Sm1—Sm1ii | 3.484 (7) | Si1—O2 | 1.585 (12) |
| Ca2—Ca2iv | 3.887 (5) | Si1—O3 | 1.595 (7) |
| Ca2—Ca2xi | 3.887 (3) | Si1—O3ii | 1.595 (7) |
| Ca1i—Ca1—Ca1ii | 180 | Ca1xx—Ca2—Ca2xi | 103.30 (5) |
| Ca1i—Ca1—Sm1 | 0 | Ca1xx—Ca2—Ca2xii | 103.49 (9) |
| Ca1i—Ca1—Sm1i | 0 | Ca1xx—Ca2—Ca2xiii | 60.62 (8) |
| Ca1i—Ca1—Sm1ii | 180 | Ca1xx—Ca2—Ca2viii | 146.66 (9) |
| Ca1i—Ca1—Ca2iii | 115.52 (6) | Ca1xx—Ca2—Ca2xiv | 96.40 (7) |
| Ca1i—Ca1—Ca2iv | 115.52 (6) | Ca1xx—Ca2—Sm2 | 0 |
| Ca1i—Ca1—Ca2v | 115.52 (7) | Ca1xx—Ca2—Sm2iv | 150.54 (6) |
| Ca1i—Ca1—Ca2vi | 65.19 (6) | Ca1xx—Ca2—Sm2xi | 103.30 (5) |
| Ca1i—Ca1—Ca2vii | 65.19 (6) | Ca1xx—Ca2—Si1 | 134.58 (12) |
| Ca1i—Ca1—Ca2viii | 65.19 (6) | Ca1xx—Ca2—Si1xi | 57.75 (17) |
| Ca1i—Ca1—Si1vi | 57.64 (10) | Ca1xx—Ca2—O2xv | 74.8 (4) |
| Ca1i—Ca1—Si1vii | 57.64 (12) | Ca1xx—Ca2—O3xiii | 43.3 (2) |
| Ca1i—Ca1—Si1viii | 57.64 (10) | Ca1xx—Ca2—O3xvi | 94.3 (3) |
| Ca1i—Ca1—O1 | 136.4 (2) | Ca1xx—Ca2—O4 | 129.46 (6) |
| Ca1i—Ca1—O1ix | 136.44 (19) | Ca2iv—Ca2—Ca2xi | 60.00 (5) |
| Ca1i—Ca1—O1x | 136.4 (3) | Ca2iv—Ca2—Ca2xii | 90.00 (6) |
| Ca1ii—Ca1—Sm1 | 0 | Ca2iv—Ca2—Ca2xiii | 90.00 (6) |
| Ca1ii—Ca1—Sm1i | 180 | Ca2iv—Ca2—Ca2viii | 61.97 (5) |
| Ca1ii—Ca1—Sm1ii | 0 | Ca2iv—Ca2—Ca2xiv | 61.97 (5) |
| Ca1ii—Ca1—Ca2iii | 64.48 (6) | Ca2iv—Ca2—Sm2 | 0 |
| Ca1ii—Ca1—Ca2iv | 64.48 (6) | Ca2iv—Ca2—Sm2iv | 0 |
| Ca1ii—Ca1—Ca2v | 64.48 (7) | Ca2iv—Ca2—Sm2xi | 60.00 (5) |
| Ca1ii—Ca1—Ca2vi | 114.81 (6) | Ca2iv—Ca2—Si1 | 54.17 (15) |
| Ca1ii—Ca1—Ca2vii | 114.81 (6) | Ca2iv—Ca2—Si1xi | 111.0 (2) |
| Ca1ii—Ca1—Ca2viii | 114.81 (6) | Ca2iv—Ca2—O2xv | 122.2 (4) |
| Ca1ii—Ca1—Si1vi | 122.36 (10) | Ca2iv—Ca2—O3xiii | 110.1 (2) |
| Ca1ii—Ca1—Si1vii | 122.36 (12) | Ca2iv—Ca2—O3xvi | 110.1 (2) |
| Ca1ii—Ca1—Si1viii | 122.36 (10) | Ca2iv—Ca2—O4 | 30.00 (5) |
| Ca1ii—Ca1—O1 | 43.6 (2) | Ca2xi—Ca2—Ca2xii | 61.97 (4) |
| Ca1ii—Ca1—O1ix | 43.56 (19) | Ca2xi—Ca2—Ca2xiii | 61.97 (4) |
| Ca1ii—Ca1—O1x | 43.6 (3) | Ca2xi—Ca2—Ca2viii | 90.00 (5) |
| Sm1—Ca1—Sm1i | 0 | Ca2xi—Ca2—Ca2xiv | 90.00 (5) |
| Sm1—Ca1—Sm1ii | 0 | Ca2xi—Ca2—Sm2 | 0 |
| Sm1—Ca1—Ca2iii | 0 | Ca2xi—Ca2—Sm2iv | 60.00 (5) |
| Sm1—Ca1—Ca2iv | 0 | Ca2xi—Ca2—Sm2xi | 0 |
| Sm1—Ca1—Ca2v | 0 | Ca2xi—Ca2—Si1 | 114.17 (16) |
| Sm1—Ca1—Ca2vi | 0 | Ca2xi—Ca2—Si1xi | 51.02 (19) |
| Sm1—Ca1—Ca2vii | 0 | Ca2xi—Ca2—O2xv | 177.8 (4) |
| Sm1—Ca1—Ca2viii | 0 | Ca2xi—Ca2—O3xiii | 94.39 (14) |
| Sm1—Ca1—Si1vi | 0 | Ca2xi—Ca2—O3xvi | 94.39 (14) |
| Sm1—Ca1—Si1vii | 0 | Ca2xi—Ca2—O4 | 30.00 (4) |
| Sm1—Ca1—Si1viii | 0 | Ca2xii—Ca2—Ca2xiii | 114.28 (5) |
| Sm1—Ca1—O1 | 0 | Ca2xii—Ca2—Ca2viii | 56.06 (4) |
| Sm1—Ca1—O1ix | 0 | Ca2xii—Ca2—Ca2xiv | 148.52 (9) |
| Sm1—Ca1—O1x | 0 | Ca2xii—Ca2—Sm2 | 0 |
| Sm1i—Ca1—Sm1ii | 180 | Ca2xii—Ca2—Sm2iv | 90.00 (6) |
| Sm1i—Ca1—Ca2iii | 115.52 (6) | Ca2xii—Ca2—Sm2xi | 61.97 (4) |
| Sm1i—Ca1—Ca2iv | 115.52 (6) | Ca2xii—Ca2—Si1 | 116.10 (8) |
| Sm1i—Ca1—Ca2v | 115.52 (7) | Ca2xii—Ca2—Si1xi | 59.57 (6) |
| Sm1i—Ca1—Ca2vi | 65.19 (6) | Ca2xii—Ca2—O2xv | 117.35 (14) |
| Sm1i—Ca1—Ca2vii | 65.19 (6) | Ca2xii—Ca2—O3xiii | 136.31 (19) |
| Sm1i—Ca1—Ca2viii | 65.19 (6) | Ca2xii—Ca2—O3xvi | 32.53 (15) |
| Sm1i—Ca1—Si1vi | 57.64 (10) | Ca2xii—Ca2—O4 | 74.26 (5) |
| Sm1i—Ca1—Si1vii | 57.64 (12) | Ca2xiii—Ca2—Ca2viii | 148.52 (9) |
| Sm1i—Ca1—Si1viii | 57.64 (10) | Ca2xiii—Ca2—Ca2xiv | 56.06 (4) |
| Sm1i—Ca1—O1 | 136.4 (2) | Ca2xiii—Ca2—Sm2 | 0 |
| Sm1i—Ca1—O1ix | 136.44 (19) | Ca2xiii—Ca2—Sm2iv | 90.00 (6) |
| Sm1i—Ca1—O1x | 136.4 (3) | Ca2xiii—Ca2—Sm2xi | 61.97 (4) |
| Sm1ii—Ca1—Ca2iii | 64.48 (6) | Ca2xiii—Ca2—Si1 | 116.10 (8) |
| Sm1ii—Ca1—Ca2iv | 64.48 (6) | Ca2xiii—Ca2—Si1xi | 59.57 (6) |
| Sm1ii—Ca1—Ca2v | 64.48 (7) | Ca2xiii—Ca2—O2xv | 117.35 (14) |
| Sm1ii—Ca1—Ca2vi | 114.81 (6) | Ca2xiii—Ca2—O3xiii | 32.53 (15) |
| Sm1ii—Ca1—Ca2vii | 114.81 (6) | Ca2xiii—Ca2—O3xvi | 136.31 (19) |
| Sm1ii—Ca1—Ca2viii | 114.81 (6) | Ca2xiii—Ca2—O4 | 74.26 (5) |
| Sm1ii—Ca1—Si1vi | 122.36 (10) | Ca2viii—Ca2—Ca2xiv | 114.28 (8) |
| Sm1ii—Ca1—Si1vii | 122.36 (12) | Ca2viii—Ca2—Sm2 | 0 |
| Sm1ii—Ca1—Si1viii | 122.36 (10) | Ca2viii—Ca2—Sm2iv | 61.97 (5) |
| Sm1ii—Ca1—O1 | 43.6 (2) | Ca2viii—Ca2—Sm2xi | 90.00 (5) |
| Sm1ii—Ca1—O1ix | 43.56 (19) | Ca2viii—Ca2—Si1 | 60.33 (5) |
| Sm1ii—Ca1—O1x | 43.6 (3) | Ca2viii—Ca2—Si1xi | 114.95 (8) |
| Ca2iii—Ca1—Ca2iv | 102.80 (9) | Ca2viii—Ca2—O2xv | 91.2 (2) |
| Ca2iii—Ca1—Ca2v | 102.80 (8) | Ca2viii—Ca2—O3xiii | 167.1 (2) |
| Ca2iii—Ca1—Ca2vi | 96.04 (4) | Ca2viii—Ca2—O3xvi | 53.8 (2) |
| Ca2iii—Ca1—Ca2vii | 60.81 (4) | Ca2viii—Ca2—O4 | 74.26 (7) |
| Ca2iii—Ca1—Ca2viii | 157.66 (5) | Ca2xiv—Ca2—Sm2 | 0 |
| Ca2iii—Ca1—Si1vi | 144.40 (11) | Ca2xiv—Ca2—Sm2iv | 61.97 (5) |
| Ca2iii—Ca1—Si1vii | 60.89 (12) | Ca2xiv—Ca2—Sm2xi | 90.00 (5) |
| Ca2iii—Ca1—Si1viii | 111.42 (18) | Ca2xiv—Ca2—Si1 | 60.33 (5) |
| Ca2iii—Ca1—O1 | 106.8 (3) | Ca2xiv—Ca2—Si1xi | 114.95 (8) |
| Ca2iii—Ca1—O1ix | 61.7 (4) | Ca2xiv—Ca2—O2xv | 91.2 (2) |
| Ca2iii—Ca1—O1x | 41.3 (3) | Ca2xiv—Ca2—O3xiii | 53.8 (2) |
| Ca2iv—Ca1—Ca2v | 102.80 (9) | Ca2xiv—Ca2—O3xvi | 167.1 (2) |
| Ca2iv—Ca1—Ca2vi | 157.66 (7) | Ca2xiv—Ca2—O4 | 74.26 (7) |
| Ca2iv—Ca1—Ca2vii | 96.04 (5) | Sm2—Ca2—Sm2iv | 0 |
| Ca2iv—Ca1—Ca2viii | 60.81 (4) | Sm2—Ca2—Sm2xi | 0 |
| Ca2iv—Ca1—Si1vi | 111.42 (13) | Sm2—Ca2—Si1 | 0 |
| Ca2iv—Ca1—Si1vii | 144.40 (13) | Sm2—Ca2—Si1xi | 0 |
| Ca2iv—Ca1—Si1viii | 60.89 (6) | Sm2—Ca2—O2xv | 0 |
| Ca2iv—Ca1—O1 | 41.3 (2) | Sm2—Ca2—O3xiii | 0 |
| Ca2iv—Ca1—O1ix | 106.8 (3) | Sm2—Ca2—O3xvi | 0 |
| Ca2iv—Ca1—O1x | 61.7 (3) | Sm2—Ca2—O4 | 0 |
| Ca2v—Ca1—Ca2vi | 60.81 (3) | Sm2iv—Ca2—Sm2xi | 60.00 (5) |
| Ca2v—Ca1—Ca2vii | 157.66 (4) | Sm2iv—Ca2—Si1 | 54.17 (15) |
| Ca2v—Ca1—Ca2viii | 96.04 (5) | Sm2iv—Ca2—Si1xi | 111.0 (2) |
| Ca2v—Ca1—Si1vi | 60.89 (7) | Sm2iv—Ca2—O2xv | 122.2 (4) |
| Ca2v—Ca1—Si1vii | 111.42 (11) | Sm2iv—Ca2—O3xiii | 110.1 (2) |
| Ca2v—Ca1—Si1viii | 144.40 (18) | Sm2iv—Ca2—O3xvi | 110.1 (2) |
| Ca2v—Ca1—O1 | 61.7 (2) | Sm2iv—Ca2—O4 | 30.00 (5) |
| Ca2v—Ca1—O1ix | 41.3 (4) | Sm2xi—Ca2—Si1 | 114.17 (16) |
| Ca2v—Ca1—O1x | 106.8 (3) | Sm2xi—Ca2—Si1xi | 51.02 (19) |
| Ca2vi—Ca1—Ca2vii | 103.65 (8) | Sm2xi—Ca2—O2xv | 177.8 (4) |
| Ca2vi—Ca1—Ca2viii | 103.65 (9) | Sm2xi—Ca2—O3xiii | 94.39 (14) |
| Ca2vi—Ca1—Si1vi | 48.48 (12) | Sm2xi—Ca2—O3xvi | 94.39 (14) |
| Ca2vi—Ca1—Si1vii | 56.62 (14) | Sm2xi—Ca2—O4 | 30.00 (4) |
| Ca2vi—Ca1—Si1viii | 122.64 (15) | Si1—Ca2—Si1xi | 165.2 (2) |
| Ca2vi—Ca1—O1 | 121.4 (3) | Si1—Ca2—O2xv | 68.0 (4) |
| Ca2vi—Ca1—O1ix | 71.80 (16) | Si1—Ca2—O3xiii | 106.9 (2) |
| Ca2vi—Ca1—O1x | 134.8 (2) | Si1—Ca2—O3xvi | 106.9 (2) |
| Ca2vii—Ca1—Ca2viii | 103.65 (9) | Si1—Ca2—O4 | 84.17 (16) |
| Ca2vii—Ca1—Si1vi | 122.64 (16) | Si1xi—Ca2—O2xv | 126.8 (5) |
| Ca2vii—Ca1—Si1vii | 48.48 (13) | Si1xi—Ca2—O3xiii | 76.90 (18) |
| Ca2vii—Ca1—Si1viii | 56.62 (18) | Si1xi—Ca2—O3xvi | 76.90 (18) |
| Ca2vii—Ca1—O1 | 134.8 (3) | Si1xi—Ca2—O4 | 81.02 (19) |
| Ca2vii—Ca1—O1ix | 121.4 (4) | O2xv—Ca2—O3xiii | 84.9 (2) |
| Ca2vii—Ca1—O1x | 71.8 (3) | O2xv—Ca2—O3xvi | 84.9 (2) |
| Ca2viii—Ca1—Si1vi | 56.62 (11) | O2xv—Ca2—O4 | 152.2 (4) |
| Ca2viii—Ca1—Si1vii | 122.64 (16) | O3xiii—Ca2—O3xvi | 137.6 (4) |
| Ca2viii—Ca1—Si1viii | 48.48 (19) | O3xiii—Ca2—O4 | 104.06 (19) |
| Ca2viii—Ca1—O1 | 71.8 (2) | O3xvi—Ca2—O4 | 104.06 (19) |
| Ca2viii—Ca1—O1ix | 134.8 (4) | Ca2—Sm2—Ca2iv | 0 |
| Ca2viii—Ca1—O1x | 121.4 (2) | Ca2—Sm2—Ca2xi | 0 |
| Si1vi—Ca1—Si1vii | 94.0 (2) | Ca2—Sm2—Si1 | 0 |
| Si1vi—Ca1—Si1viii | 94.0 (2) | Ca2—Sm2—O3xiii | 0 |
| Si1vi—Ca1—O1 | 93.1 (3) | Ca2—Sm2—O3xvi | 0 |
| Si1vi—Ca1—O1ix | 98.1 (3) | Ca2—Sm2—O4 | 0 |
| Si1vi—Ca1—O1x | 165.4 (4) | Ca2iv—Sm2—Ca2xi | 60.00 (5) |
| Si1vii—Ca1—Si1viii | 94.03 (18) | Ca2iv—Sm2—Si1 | 54.17 (15) |
| Si1vii—Ca1—O1 | 165.4 (3) | Ca2iv—Sm2—O3xiii | 110.1 (2) |
| Si1vii—Ca1—O1ix | 93.1 (3) | Ca2iv—Sm2—O3xvi | 110.1 (2) |
| Si1vii—Ca1—O1x | 98.1 (3) | Ca2iv—Sm2—O4 | 30.00 (5) |
| Si1viii—Ca1—O1 | 98.1 (2) | Ca2xi—Sm2—Si1 | 114.17 (16) |
| Si1viii—Ca1—O1ix | 165.4 (2) | Ca2xi—Sm2—O3xiii | 94.39 (14) |
| Si1viii—Ca1—O1x | 93.1 (3) | Ca2xi—Sm2—O3xvi | 94.39 (14) |
| O1—Ca1—O1ix | 73.3 (4) | Ca2xi—Sm2—O4 | 30.00 (4) |
| O1—Ca1—O1x | 73.3 (4) | Si1—Sm2—O3xiii | 106.9 (2) |
| O1ix—Ca1—O1x | 73.3 (4) | Si1—Sm2—O3xvi | 106.9 (2) |
| Ca1—Sm1—Ca1i | 0 | Si1—Sm2—O4 | 84.17 (16) |
| Ca1—Sm1—Ca1ii | 0 | O3xiii—Sm2—O3xvi | 137.6 (4) |
| Ca1—Sm1—Sm1i | 0 | O3xiii—Sm2—O4 | 104.06 (19) |
| Ca1—Sm1—Sm1ii | 0 | O3xvi—Sm2—O4 | 104.06 (19) |
| Ca1i—Sm1—Ca1ii | 180 | Ca1xviii—Si1—Ca1xix | 64.72 (18) |
| Ca1i—Sm1—Sm1i | 0 | Ca1xviii—Si1—Ca2 | 80.82 (19) |
| Ca1i—Sm1—Sm1ii | 180 | Ca1xviii—Si1—Ca2iv | 139.35 (14) |
| Ca1ii—Sm1—Sm1i | 180 | Ca1xviii—Si1—Sm2 | 80.82 (19) |
| Ca1ii—Sm1—Sm1ii | 0 | Ca1xviii—Si1—O1 | 136.6 (3) |
| Sm1i—Sm1—Sm1ii | 180 | Ca1xviii—Si1—O2 | 47.6 (4) |
| Ca1xvii—Ca2—Ca1xviii | 104.86 (6) | Ca1xviii—Si1—O3 | 110.7 (5) |
| Ca1xvii—Ca2—Ca1xix | 83.96 (5) | Ca1xviii—Si1—O3ii | 60.9 (3) |
| Ca1xvii—Ca2—Ca1xx | 51.05 (10) | Ca1xix—Si1—Ca2 | 80.82 (19) |
| Ca1xvii—Ca2—Ca2iv | 150.54 (6) | Ca1xix—Si1—Ca2iv | 139.35 (14) |
| Ca1xvii—Ca2—Ca2xi | 103.30 (5) | Ca1xix—Si1—Sm2 | 80.82 (19) |
| Ca1xvii—Ca2—Ca2xii | 60.62 (8) | Ca1xix—Si1—O1 | 136.6 (3) |
| Ca1xvii—Ca2—Ca2xiii | 103.49 (9) | Ca1xix—Si1—O2 | 47.6 (4) |
| Ca1xvii—Ca2—Ca2viii | 96.40 (7) | Ca1xix—Si1—O3 | 60.9 (3) |
| Ca1xvii—Ca2—Ca2xiv | 146.66 (9) | Ca1xix—Si1—O3ii | 110.7 (5) |
| Ca1xvii—Ca2—Sm2 | 0 | Ca2—Si1—Ca2iv | 74.81 (13) |
| Ca1xvii—Ca2—Sm2iv | 150.54 (6) | Ca2—Si1—Sm2 | 0 |
| Ca1xvii—Ca2—Sm2xi | 103.30 (5) | Ca2—Si1—O1 | 131.6 (4) |
| Ca1xvii—Ca2—Si1 | 134.58 (12) | Ca2—Si1—O2 | 116.1 (6) |
| Ca1xvii—Ca2—Si1xi | 57.75 (17) | Ca2—Si1—O3 | 51.8 (3) |
| Ca1xvii—Ca2—O2xv | 74.8 (4) | Ca2—Si1—O3ii | 51.8 (3) |
| Ca1xvii—Ca2—O3xiii | 94.3 (3) | Ca2iv—Si1—Sm2 | 74.81 (13) |
| Ca1xvii—Ca2—O3xvi | 43.3 (2) | Ca2iv—Si1—O1 | 56.8 (4) |
| Ca1xvii—Ca2—O4 | 129.46 (6) | Ca2iv—Si1—O2 | 169.1 (6) |
| Ca1xviii—Ca2—Ca1xix | 49.62 (9) | Ca2iv—Si1—O3 | 78.5 (3) |
| Ca1xviii—Ca2—Ca1xx | 83.96 (5) | Ca2iv—Si1—O3ii | 78.5 (3) |
| Ca1xviii—Ca2—Ca2iv | 99.01 (6) | Sm2—Si1—O1 | 131.6 (4) |
| Ca1xviii—Ca2—Ca2xi | 148.50 (7) | Sm2—Si1—O2 | 116.1 (6) |
| Ca1xviii—Ca2—Ca2xii | 146.89 (7) | Sm2—Si1—O3 | 51.8 (3) |
| Ca1xviii—Ca2—Ca2xiii | 97.63 (7) | Sm2—Si1—O3ii | 51.8 (3) |
| Ca1xviii—Ca2—Ca2viii | 100.57 (7) | O1—Si1—O2 | 112.3 (7) |
| Ca1xviii—Ca2—Ca2xiv | 58.57 (7) | O1—Si1—O3 | 112.5 (5) |
| Ca1xviii—Ca2—Sm2 | 0 | O1—Si1—O3ii | 112.5 (5) |
| Ca1xviii—Ca2—Sm2iv | 99.01 (6) | O2—Si1—O3 | 107.9 (5) |
| Ca1xviii—Ca2—Sm2xi | 148.50 (7) | O2—Si1—O3ii | 107.9 (5) |
| Ca1xviii—Ca2—Si1 | 50.71 (12) | O3—Si1—O3ii | 103.3 (5) |
| Ca1xviii—Ca2—Si1xi | 141.12 (16) | Ca1—O1—Ca1ii | 92.9 (4) |
| Ca1xviii—Ca2—O2xv | 32.8 (3) | Ca1—O1—Si1 | 128.9 (3) |
| Ca1xviii—Ca2—O3xiii | 69.74 (15) | Ca1ii—O1—Si1 | 128.9 (3) |
| Ca1xviii—Ca2—O3xvi | 115.85 (15) | Ca2v—O2—Si1 | 124.1 (8) |
| Ca1xviii—Ca2—O4 | 125.64 (9) | Ca2viii—O3—Sm2viii | 0 |
| Ca1xix—Ca2—Ca1xx | 104.86 (6) | Ca2viii—O3—Si1 | 140.4 (5) |
| Ca1xix—Ca2—Ca2iv | 99.01 (6) | Sm2viii—O3—Si1 | 140.4 (5) |
| Ca1xix—Ca2—Ca2xi | 148.50 (7) | Ca2—O4—Ca2iv | 120.00 (9) |
| Ca1xix—Ca2—Ca2xii | 97.63 (7) | Ca2—O4—Ca2xi | 120.00 (10) |
| Ca1xix—Ca2—Ca2xiii | 146.89 (7) | Ca2—O4—Sm2 | 0 |
| Ca1xix—Ca2—Ca2viii | 58.57 (7) | Ca2—O4—Sm2iv | 120.00 (9) |
| Ca1xix—Ca2—Ca2xiv | 100.57 (7) | Ca2—O4—Sm2xi | 120.00 (10) |
| Ca1xix—Ca2—Sm2 | 0 | Ca2iv—O4—Ca2xi | 120.00 (10) |
| Ca1xix—Ca2—Sm2iv | 99.01 (6) | Ca2iv—O4—Sm2 | 120.00 (9) |
| Ca1xix—Ca2—Sm2xi | 148.50 (7) | Ca2iv—O4—Sm2iv | 0 |
| Ca1xix—Ca2—Si1 | 50.71 (12) | Ca2iv—O4—Sm2xi | 120.00 (10) |
| Ca1xix—Ca2—Si1xi | 141.12 (16) | Ca2xi—O4—Sm2 | 120.00 (10) |
| Ca1xix—Ca2—O2xv | 32.8 (3) | Ca2xi—O4—Sm2iv | 120.00 (10) |
| Ca1xix—Ca2—O3xiii | 115.85 (15) | Ca2xi—O4—Sm2xi | 0 |
| Ca1xix—Ca2—O3xvi | 69.74 (15) | Sm2—O4—Sm2iv | 120.00 (9) |
| Ca1xix—Ca2—O4 | 125.64 (9) | Sm2—O4—Sm2xi | 120.00 (10) |
| Ca1xx—Ca2—Ca2iv | 150.54 (6) | Sm2iv—O4—Sm2xi | 120.00 (10) |
| Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) y, −x+y, z−1/2; (xiii) y, −x+y, z+1/2; (xiv) x−y, x, z+1/2; (xv) −y+1, x−y, z; (xvi) y, −x+y, −z; (xvii) x, y−1, z; (xviii) −x+1, −y+1, z+1/2; (xix) −x+1, −y+1, −z; (xx) x, y−1, −z+1/2. |
Calcium europium silicate oxyapatite (Ca-Eu) top
Crystal data top
| Ca2Eu8(SiO4)6O2 | Z = 1 |
| Mr = 1880.1 | Dx = 5.847 Mg m−3 |
| Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
| a = 9.44082 (7) Å | T = 295 K |
| c = 6.91804 (6) Å | white |
| V = 533.99 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top
| Bruker D8 Advance diffractometer | Data collection mode: reflection |
| Radiation source: sealed X-ray tube | Scan method: step |
| Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top
| Rp = 0.04 | 26 parameters |
| Rwp = 0.06 | Weighting scheme based on measured s.u.'s |
| Rexp = 0.03 | (Δ/σ)max = 0.032 |
| RBragg = 0.03 | Background function: Chebychev |
| 6994 data points | Preferred orientation correction: spherical harmonic |
| Profile function: pseudo-Voigt |
Special details top
Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Ca1 | 0.333333 | 0.666667 | −0.0001 (8) | 0.0127* | 0.448 |
| Eu1 | 0.333333 | 0.666667 | −0.0001 (8) | 0.0127* | 0.552 |
| Ca2 | 0.23307 (17) | −0.0073 (3) | 0.25 | 0.0127* | 0.035 |
| Eu2 | 0.23307 (17) | −0.0073 (3) | 0.25 | 0.0127* | 0.965 |
| Si1 | 0.4006 (7) | 0.3715 (8) | 0.25 | 0.0127* | |
| O1 | 0.3232 (12) | 0.4867 (12) | 0.25 | 0.0127* | |
| O2 | 0.5961 (13) | 0.4708 (12) | 0.25 | 0.0127* | |
| O3 | 0.3387 (7) | 0.2514 (7) | 0.0667 (8) | 0.0127* | |
| O4 | 0 | 0 | 0.25 | 0.0127* |
Geometric parameters (Å, º) top
| Ca1—Ca1i | 3.458 (8) | Eu1—Si1vii | 3.215 (9) |
| Ca1—Ca1ii | 3.460 (8) | Eu1—Si1viii | 3.215 (6) |
| Ca1—Eu1 | 0 | Eu1—O1 | 2.393 (9) |
| Ca1—Eu1i | 3.458 (8) | Eu1—O1ix | 2.393 (8) |
| Ca1—Eu1ii | 3.460 (8) | Eu1—O1x | 2.393 (13) |
| Ca1—Ca2iii | 4.035 (4) | Ca2—Ca2iv | 3.872 (5) |
| Ca1—Ca2iv | 4.035 (3) | Ca2—Ca2xi | 3.872 (3) |
| Ca1—Ca2v | 4.035 (4) | Ca2—Ca2xii | 4.1186 (15) |
| Ca1—Ca2vi | 4.114 (3) | Ca2—Ca2xiii | 4.1186 (15) |
| Ca1—Ca2vii | 4.114 (4) | Ca2—Ca2viii | 4.119 (2) |
| Ca1—Ca2viii | 4.114 (3) | Ca2—Ca2xiv | 4.119 (2) |
| Ca1—Eu2iii | 4.035 (4) | Ca2—Eu2 | 0 |
| Ca1—Eu2iv | 4.035 (3) | Ca2—Eu2iv | 3.872 (5) |
| Ca1—Eu2v | 4.035 (4) | Ca2—Eu2xi | 3.872 (3) |
| Ca1—Eu2vi | 4.114 (3) | Ca2—Eu2xii | 4.1186 (15) |
| Ca1—Eu2vii | 4.114 (4) | Ca2—Eu2xiii | 4.1186 (15) |
| Ca1—Eu2viii | 4.114 (3) | Ca2—Eu2viii | 4.119 (2) |
| Ca1—Si1vi | 3.215 (7) | Ca2—Eu2xiv | 4.119 (2) |
| Ca1—Si1vii | 3.215 (9) | Ca2—Si1 | 3.104 (7) |
| Ca1—Si1viii | 3.215 (6) | Ca2—Si1xi | 3.275 (6) |
| Ca1—O1 | 2.393 (9) | Ca2—O2xv | 2.426 (10) |
| Ca1—O1ix | 2.393 (8) | Ca2—O3xiii | 2.352 (6) |
| Ca1—O1x | 2.393 (13) | Ca2—O3xvi | 2.352 (6) |
| Ca1—O2vi | 2.446 (11) | Ca2—O4 | 2.236 (2) |
| Ca1—O2vii | 2.446 (10) | Eu2—Eu2iv | 3.872 (5) |
| Ca1—O2viii | 2.446 (12) | Eu2—Eu2xi | 3.872 (3) |
| Eu1—Eu1i | 3.458 (8) | Eu2—Eu2xii | 4.1186 (15) |
| Eu1—Eu1ii | 3.460 (8) | Eu2—Eu2xiii | 4.1186 (15) |
| Eu1—Ca2iii | 4.035 (4) | Eu2—Eu2viii | 4.119 (2) |
| Eu1—Ca2iv | 4.035 (3) | Eu2—Eu2xiv | 4.119 (2) |
| Eu1—Ca2v | 4.035 (4) | Eu2—Si1 | 3.104 (7) |
| Eu1—Ca2vi | 4.114 (3) | Eu2—Si1xi | 3.275 (6) |
| Eu1—Ca2vii | 4.114 (4) | Eu2—O2xv | 2.426 (10) |
| Eu1—Ca2viii | 4.114 (3) | Eu2—O3xiii | 2.352 (6) |
| Eu1—Eu2iii | 4.035 (4) | Eu2—O3xvi | 2.352 (6) |
| Eu1—Eu2iv | 4.035 (3) | Eu2—O4 | 2.236 (2) |
| Eu1—Eu2v | 4.035 (4) | Si1—O1 | 1.585 (16) |
| Eu1—Eu2vi | 4.114 (3) | Si1—O2 | 1.598 (12) |
| Eu1—Eu2vii | 4.114 (4) | Si1—O3 | 1.604 (7) |
| Eu1—Eu2viii | 4.114 (3) | Si1—O3ii | 1.604 (7) |
| Eu1—Si1vi | 3.215 (7) | ||
| Ca1i—Ca1—Ca1ii | 180 | Eu1xvii—Ca2—Si1 | 134.45 (12) |
| Ca1i—Ca1—Eu1 | 0 | Eu1xvii—Ca2—Si1xi | 57.83 (17) |
| Ca1i—Ca1—Eu1i | 0 | Eu1xvii—Ca2—O2xv | 75.2 (4) |
| Ca1i—Ca1—Eu1ii | 180 | Eu1xvii—Ca2—O3xiii | 94.1 (3) |
| Ca1i—Ca1—Ca2iii | 115.39 (7) | Eu1xvii—Ca2—O3xvi | 43.3 (3) |
| Ca1i—Ca1—Ca2iv | 115.39 (7) | Eu1xvii—Ca2—O4 | 129.31 (6) |
| Ca1i—Ca1—Ca2v | 115.39 (7) | Eu1xviii—Ca2—Eu1xix | 49.70 (10) |
| Ca1i—Ca1—Ca2vi | 65.15 (7) | Eu1xviii—Ca2—Eu1xx | 83.96 (5) |
| Ca1i—Ca1—Ca2vii | 65.15 (7) | Eu1xviii—Ca2—Ca2iv | 99.26 (6) |
| Ca1i—Ca1—Ca2viii | 65.15 (7) | Eu1xviii—Ca2—Ca2xi | 148.63 (8) |
| Ca1i—Ca1—Eu2iii | 115.39 (7) | Eu1xviii—Ca2—Ca2xii | 146.90 (8) |
| Ca1i—Ca1—Eu2iv | 115.39 (7) | Eu1xviii—Ca2—Ca2xiii | 97.57 (7) |
| Ca1i—Ca1—Eu2v | 115.39 (7) | Eu1xviii—Ca2—Ca2viii | 100.73 (8) |
| Ca1i—Ca1—Eu2vi | 65.15 (7) | Eu1xviii—Ca2—Ca2xiv | 58.69 (7) |
| Ca1i—Ca1—Eu2vii | 65.15 (7) | Eu1xviii—Ca2—Eu2 | 0 |
| Ca1i—Ca1—Eu2viii | 65.15 (7) | Eu1xviii—Ca2—Eu2iv | 99.26 (6) |
| Ca1i—Ca1—Si1vi | 57.47 (11) | Eu1xviii—Ca2—Eu2xi | 148.63 (8) |
| Ca1i—Ca1—Si1vii | 57.47 (13) | Eu1xviii—Ca2—Eu2xii | 146.90 (8) |
| Ca1i—Ca1—Si1viii | 57.47 (10) | Eu1xviii—Ca2—Eu2xiii | 97.57 (7) |
| Ca1i—Ca1—O1 | 136.3 (2) | Eu1xviii—Ca2—Eu2viii | 100.73 (8) |
| Ca1i—Ca1—O1ix | 136.30 (19) | Eu1xviii—Ca2—Eu2xiv | 58.69 (7) |
| Ca1i—Ca1—O1x | 136.3 (3) | Eu1xviii—Ca2—Si1 | 50.56 (12) |
| Ca1i—Ca1—O2vi | 45.0 (3) | Eu1xviii—Ca2—Si1xi | 141.16 (16) |
| Ca1i—Ca1—O2vii | 45.0 (2) | Eu1xviii—Ca2—O2xv | 32.5 (3) |
| Ca1i—Ca1—O2viii | 45.0 (3) | Eu1xviii—Ca2—O3xiii | 69.84 (15) |
| Ca1ii—Ca1—Eu1 | 0 | Eu1xviii—Ca2—O3xvi | 116.00 (15) |
| Ca1ii—Ca1—Eu1i | 180 | Eu1xviii—Ca2—O4 | 125.87 (9) |
| Ca1ii—Ca1—Eu1ii | 0 | Eu1xix—Ca2—Eu1xx | 104.79 (6) |
| Ca1ii—Ca1—Ca2iii | 64.61 (7) | Eu1xix—Ca2—Ca2iv | 99.26 (6) |
| Ca1ii—Ca1—Ca2iv | 64.61 (7) | Eu1xix—Ca2—Ca2xi | 148.63 (8) |
| Ca1ii—Ca1—Ca2v | 64.61 (7) | Eu1xix—Ca2—Ca2xii | 97.57 (7) |
| Ca1ii—Ca1—Ca2vi | 114.85 (7) | Eu1xix—Ca2—Ca2xiii | 146.90 (8) |
| Ca1ii—Ca1—Ca2vii | 114.85 (7) | Eu1xix—Ca2—Ca2viii | 58.69 (7) |
| Ca1ii—Ca1—Ca2viii | 114.85 (7) | Eu1xix—Ca2—Ca2xiv | 100.73 (8) |
| Ca1ii—Ca1—Eu2iii | 64.61 (7) | Eu1xix—Ca2—Eu2 | 0 |
| Ca1ii—Ca1—Eu2iv | 64.61 (7) | Eu1xix—Ca2—Eu2iv | 99.26 (6) |
| Ca1ii—Ca1—Eu2v | 64.61 (7) | Eu1xix—Ca2—Eu2xi | 148.63 (8) |
| Ca1ii—Ca1—Eu2vi | 114.85 (7) | Eu1xix—Ca2—Eu2xii | 97.57 (7) |
| Ca1ii—Ca1—Eu2vii | 114.85 (7) | Eu1xix—Ca2—Eu2xiii | 146.90 (8) |
| Ca1ii—Ca1—Eu2viii | 114.85 (7) | Eu1xix—Ca2—Eu2viii | 58.69 (7) |
| Ca1ii—Ca1—Si1vi | 122.53 (11) | Eu1xix—Ca2—Eu2xiv | 100.73 (8) |
| Ca1ii—Ca1—Si1vii | 122.53 (13) | Eu1xix—Ca2—Si1 | 50.56 (12) |
| Ca1ii—Ca1—Si1viii | 122.53 (10) | Eu1xix—Ca2—Si1xi | 141.16 (16) |
| Ca1ii—Ca1—O1 | 43.7 (2) | Eu1xix—Ca2—O2xv | 32.5 (3) |
| Ca1ii—Ca1—O1ix | 43.70 (19) | Eu1xix—Ca2—O3xiii | 116.00 (15) |
| Ca1ii—Ca1—O1x | 43.7 (3) | Eu1xix—Ca2—O3xvi | 69.84 (15) |
| Ca1ii—Ca1—O2vi | 135.0 (3) | Eu1xix—Ca2—O4 | 125.87 (9) |
| Ca1ii—Ca1—O2vii | 135.0 (2) | Eu1xx—Ca2—Ca2iv | 150.53 (7) |
| Ca1ii—Ca1—O2viii | 135.0 (3) | Eu1xx—Ca2—Ca2xi | 103.10 (5) |
| Eu1—Ca1—Eu1i | 0 | Eu1xx—Ca2—Ca2xii | 103.26 (10) |
| Eu1—Ca1—Eu1ii | 0 | Eu1xx—Ca2—Ca2xiii | 60.59 (8) |
| Eu1—Ca1—Ca2iii | 0 | Eu1xx—Ca2—Ca2viii | 146.60 (9) |
| Eu1—Ca1—Ca2iv | 0 | Eu1xx—Ca2—Ca2xiv | 96.58 (8) |
| Eu1—Ca1—Ca2v | 0 | Eu1xx—Ca2—Eu2 | 0 |
| Eu1—Ca1—Ca2vi | 0 | Eu1xx—Ca2—Eu2iv | 150.53 (7) |
| Eu1—Ca1—Ca2vii | 0 | Eu1xx—Ca2—Eu2xi | 103.10 (5) |
| Eu1—Ca1—Ca2viii | 0 | Eu1xx—Ca2—Eu2xii | 103.26 (10) |
| Eu1—Ca1—Eu2iii | 0 | Eu1xx—Ca2—Eu2xiii | 60.59 (8) |
| Eu1—Ca1—Eu2iv | 0 | Eu1xx—Ca2—Eu2viii | 146.60 (9) |
| Eu1—Ca1—Eu2v | 0 | Eu1xx—Ca2—Eu2xiv | 96.58 (8) |
| Eu1—Ca1—Eu2vi | 0 | Eu1xx—Ca2—Si1 | 134.45 (12) |
| Eu1—Ca1—Eu2vii | 0 | Eu1xx—Ca2—Si1xi | 57.83 (17) |
| Eu1—Ca1—Eu2viii | 0 | Eu1xx—Ca2—O2xv | 75.2 (4) |
| Eu1—Ca1—Si1vi | 0 | Eu1xx—Ca2—O3xiii | 43.3 (3) |
| Eu1—Ca1—Si1vii | 0 | Eu1xx—Ca2—O3xvi | 94.1 (3) |
| Eu1—Ca1—Si1viii | 0 | Eu1xx—Ca2—O4 | 129.31 (6) |
| Eu1—Ca1—O1 | 0 | Ca2iv—Ca2—Ca2xi | 60.00 (6) |
| Eu1—Ca1—O1ix | 0 | Ca2iv—Ca2—Ca2xii | 90.00 (7) |
| Eu1—Ca1—O1x | 0 | Ca2iv—Ca2—Ca2xiii | 90.00 (7) |
| Eu1—Ca1—O2vi | 0 | Ca2iv—Ca2—Ca2viii | 61.96 (6) |
| Eu1—Ca1—O2vii | 0 | Ca2iv—Ca2—Ca2xiv | 61.96 (6) |
| Eu1—Ca1—O2viii | 0 | Ca2iv—Ca2—Eu2 | 0 |
| Eu1i—Ca1—Eu1ii | 180 | Ca2iv—Ca2—Eu2iv | 0 |
| Eu1i—Ca1—Ca2iii | 115.39 (7) | Ca2iv—Ca2—Eu2xi | 60.00 (6) |
| Eu1i—Ca1—Ca2iv | 115.39 (7) | Ca2iv—Ca2—Eu2xii | 90.00 (7) |
| Eu1i—Ca1—Ca2v | 115.39 (7) | Ca2iv—Ca2—Eu2xiii | 90.00 (7) |
| Eu1i—Ca1—Ca2vi | 65.15 (7) | Ca2iv—Ca2—Eu2viii | 61.96 (6) |
| Eu1i—Ca1—Ca2vii | 65.15 (7) | Ca2iv—Ca2—Eu2xiv | 61.96 (6) |
| Eu1i—Ca1—Ca2viii | 65.15 (7) | Ca2iv—Ca2—Si1 | 54.66 (15) |
| Eu1i—Ca1—Eu2iii | 115.39 (7) | Ca2iv—Ca2—Si1xi | 110.6 (2) |
| Eu1i—Ca1—Eu2iv | 115.39 (7) | Ca2iv—Ca2—O2xv | 121.9 (4) |
| Eu1i—Ca1—Eu2v | 115.39 (7) | Ca2iv—Ca2—O3xiii | 110.2 (2) |
| Eu1i—Ca1—Eu2vi | 65.15 (7) | Ca2iv—Ca2—O3xvi | 110.2 (2) |
| Eu1i—Ca1—Eu2vii | 65.15 (7) | Ca2iv—Ca2—O4 | 30.00 (5) |
| Eu1i—Ca1—Eu2viii | 65.15 (7) | Ca2xi—Ca2—Ca2xii | 61.96 (4) |
| Eu1i—Ca1—Si1vi | 57.47 (11) | Ca2xi—Ca2—Ca2xiii | 61.96 (4) |
| Eu1i—Ca1—Si1vii | 57.47 (13) | Ca2xi—Ca2—Ca2viii | 90.00 (6) |
| Eu1i—Ca1—Si1viii | 57.47 (10) | Ca2xi—Ca2—Ca2xiv | 90.00 (6) |
| Eu1i—Ca1—O1 | 136.3 (2) | Ca2xi—Ca2—Eu2 | 0 |
| Eu1i—Ca1—O1ix | 136.30 (19) | Ca2xi—Ca2—Eu2iv | 60.00 (6) |
| Eu1i—Ca1—O1x | 136.3 (3) | Ca2xi—Ca2—Eu2xi | 0 |
| Eu1i—Ca1—O2vi | 45.0 (3) | Ca2xi—Ca2—Eu2xii | 61.96 (4) |
| Eu1i—Ca1—O2vii | 45.0 (2) | Ca2xi—Ca2—Eu2xiii | 61.96 (4) |
| Eu1i—Ca1—O2viii | 45.0 (3) | Ca2xi—Ca2—Eu2viii | 90.00 (6) |
| Eu1ii—Ca1—Ca2iii | 64.61 (7) | Ca2xi—Ca2—Eu2xiv | 90.00 (6) |
| Eu1ii—Ca1—Ca2iv | 64.61 (7) | Ca2xi—Ca2—Si1 | 114.66 (16) |
| Eu1ii—Ca1—Ca2v | 64.61 (7) | Ca2xi—Ca2—Si1xi | 50.64 (19) |
| Eu1ii—Ca1—Ca2vi | 114.85 (7) | Ca2xi—Ca2—O2xv | 178.1 (4) |
| Eu1ii—Ca1—Ca2vii | 114.85 (7) | Ca2xi—Ca2—O3xiii | 94.20 (14) |
| Eu1ii—Ca1—Ca2viii | 114.85 (7) | Ca2xi—Ca2—O3xvi | 94.20 (14) |
| Eu1ii—Ca1—Eu2iii | 64.61 (7) | Ca2xi—Ca2—O4 | 30.00 (4) |
| Eu1ii—Ca1—Eu2iv | 64.61 (7) | Ca2xii—Ca2—Ca2xiii | 114.25 (5) |
| Eu1ii—Ca1—Eu2v | 64.61 (7) | Ca2xii—Ca2—Ca2viii | 56.08 (4) |
| Eu1ii—Ca1—Eu2vi | 114.85 (7) | Ca2xii—Ca2—Ca2xiv | 148.50 (9) |
| Eu1ii—Ca1—Eu2vii | 114.85 (7) | Ca2xii—Ca2—Eu2 | 0 |
| Eu1ii—Ca1—Eu2viii | 114.85 (7) | Ca2xii—Ca2—Eu2iv | 90.00 (7) |
| Eu1ii—Ca1—Si1vi | 122.53 (11) | Ca2xii—Ca2—Eu2xi | 61.96 (4) |
| Eu1ii—Ca1—Si1vii | 122.53 (13) | Ca2xii—Ca2—Eu2xii | 0 |
| Eu1ii—Ca1—Si1viii | 122.53 (10) | Ca2xii—Ca2—Eu2xiii | 114.25 (5) |
| Eu1ii—Ca1—O1 | 43.7 (2) | Ca2xii—Ca2—Eu2viii | 56.08 (4) |
| Eu1ii—Ca1—O1ix | 43.70 (19) | Ca2xii—Ca2—Eu2xiv | 148.50 (9) |
| Eu1ii—Ca1—O1x | 43.7 (3) | Ca2xii—Ca2—Si1 | 116.28 (8) |
| Eu1ii—Ca1—O2vi | 135.0 (3) | Ca2xii—Ca2—Si1xi | 59.47 (6) |
| Eu1ii—Ca1—O2vii | 135.0 (2) | Ca2xii—Ca2—O2xv | 117.43 (14) |
| Eu1ii—Ca1—O2viii | 135.0 (3) | Ca2xii—Ca2—O3xiii | 136.1 (2) |
| Ca2iii—Ca1—Ca2iv | 102.95 (10) | Ca2xii—Ca2—O3xvi | 32.37 (15) |
| Ca2iii—Ca1—Ca2v | 102.95 (9) | Ca2xii—Ca2—O4 | 74.25 (5) |
| Ca2iii—Ca1—Ca2vi | 96.04 (4) | Ca2xiii—Ca2—Ca2viii | 148.50 (9) |
| Ca2iii—Ca1—Ca2vii | 60.71 (4) | Ca2xiii—Ca2—Ca2xiv | 56.08 (4) |
| Ca2iii—Ca1—Ca2viii | 157.62 (5) | Ca2xiii—Ca2—Eu2 | 0 |
| Ca2iii—Ca1—Eu2iii | 0 | Ca2xiii—Ca2—Eu2iv | 90.00 (7) |
| Ca2iii—Ca1—Eu2iv | 102.95 (10) | Ca2xiii—Ca2—Eu2xi | 61.96 (4) |
| Ca2iii—Ca1—Eu2v | 102.95 (9) | Ca2xiii—Ca2—Eu2xii | 114.25 (5) |
| Ca2iii—Ca1—Eu2vi | 96.04 (4) | Ca2xiii—Ca2—Eu2xiii | 0 |
| Ca2iii—Ca1—Eu2vii | 60.71 (4) | Ca2xiii—Ca2—Eu2viii | 148.50 (9) |
| Ca2iii—Ca1—Eu2viii | 157.62 (5) | Ca2xiii—Ca2—Eu2xiv | 56.08 (4) |
| Ca2iii—Ca1—Si1vi | 144.17 (11) | Ca2xiii—Ca2—Si1 | 116.28 (8) |
| Ca2iii—Ca1—Si1vii | 60.87 (12) | Ca2xiii—Ca2—Si1xi | 59.47 (6) |
| Ca2iii—Ca1—Si1viii | 111.59 (18) | Ca2xiii—Ca2—O2xv | 117.43 (14) |
| Ca2iii—Ca1—O1 | 106.9 (3) | Ca2xiii—Ca2—O3xiii | 32.37 (15) |
| Ca2iii—Ca1—O1ix | 62.5 (4) | Ca2xiii—Ca2—O3xvi | 136.1 (2) |
| Ca2iii—Ca1—O1x | 40.7 (3) | Ca2xiii—Ca2—O4 | 74.25 (5) |
| Ca2iii—Ca1—O2vi | 159.7 (3) | Ca2viii—Ca2—Ca2xiv | 114.25 (8) |
| Ca2iii—Ca1—O2vii | 85.6 (4) | Ca2viii—Ca2—Eu2 | 0 |
| Ca2iii—Ca1—O2viii | 92.8 (4) | Ca2viii—Ca2—Eu2iv | 61.96 (6) |
| Ca2iv—Ca1—Ca2v | 102.95 (9) | Ca2viii—Ca2—Eu2xi | 90.00 (6) |
| Ca2iv—Ca1—Ca2vi | 157.62 (7) | Ca2viii—Ca2—Eu2xii | 56.08 (4) |
| Ca2iv—Ca1—Ca2vii | 96.04 (5) | Ca2viii—Ca2—Eu2xiii | 148.50 (9) |
| Ca2iv—Ca1—Ca2viii | 60.71 (4) | Ca2viii—Ca2—Eu2viii | 0 |
| Ca2iv—Ca1—Eu2iii | 102.95 (10) | Ca2viii—Ca2—Eu2xiv | 114.25 (8) |
| Ca2iv—Ca1—Eu2iv | 0 | Ca2viii—Ca2—Si1 | 60.44 (5) |
| Ca2iv—Ca1—Eu2v | 102.95 (9) | Ca2viii—Ca2—Si1xi | 114.82 (8) |
| Ca2iv—Ca1—Eu2vi | 157.62 (7) | Ca2viii—Ca2—O2xv | 91.0 (2) |
| Ca2iv—Ca1—Eu2vii | 96.04 (5) | Ca2viii—Ca2—O3xiii | 167.3 (2) |
| Ca2iv—Ca1—Eu2viii | 60.71 (4) | Ca2viii—Ca2—O3xvi | 53.9 (2) |
| Ca2iv—Ca1—Si1vi | 111.59 (13) | Ca2viii—Ca2—O4 | 74.25 (7) |
| Ca2iv—Ca1—Si1vii | 144.17 (14) | Ca2xiv—Ca2—Eu2 | 0 |
| Ca2iv—Ca1—Si1viii | 60.87 (6) | Ca2xiv—Ca2—Eu2iv | 61.96 (6) |
| Ca2iv—Ca1—O1 | 40.7 (2) | Ca2xiv—Ca2—Eu2xi | 90.00 (6) |
| Ca2iv—Ca1—O1ix | 106.9 (3) | Ca2xiv—Ca2—Eu2xii | 148.50 (9) |
| Ca2iv—Ca1—O1x | 62.5 (3) | Ca2xiv—Ca2—Eu2xiii | 56.08 (4) |
| Ca2iv—Ca1—O2vi | 92.76 (19) | Ca2xiv—Ca2—Eu2viii | 114.25 (8) |
| Ca2iv—Ca1—O2vii | 159.7 (2) | Ca2xiv—Ca2—Eu2xiv | 0 |
| Ca2iv—Ca1—O2viii | 85.6 (2) | Ca2xiv—Ca2—Si1 | 60.44 (5) |
| Ca2v—Ca1—Ca2vi | 60.71 (3) | Ca2xiv—Ca2—Si1xi | 114.82 (8) |
| Ca2v—Ca1—Ca2vii | 157.62 (4) | Ca2xiv—Ca2—O2xv | 91.0 (2) |
| Ca2v—Ca1—Ca2viii | 96.04 (5) | Ca2xiv—Ca2—O3xiii | 53.9 (2) |
| Ca2v—Ca1—Eu2iii | 102.95 (9) | Ca2xiv—Ca2—O3xvi | 167.3 (2) |
| Ca2v—Ca1—Eu2iv | 102.95 (9) | Ca2xiv—Ca2—O4 | 74.25 (7) |
| Ca2v—Ca1—Eu2v | 0 | Eu2—Ca2—Eu2iv | 0 |
| Ca2v—Ca1—Eu2vi | 60.71 (3) | Eu2—Ca2—Eu2xi | 0 |
| Ca2v—Ca1—Eu2vii | 157.62 (4) | Eu2—Ca2—Eu2xii | 0 |
| Ca2v—Ca1—Eu2viii | 96.04 (5) | Eu2—Ca2—Eu2xiii | 0 |
| Ca2v—Ca1—Si1vi | 60.87 (7) | Eu2—Ca2—Eu2viii | 0 |
| Ca2v—Ca1—Si1vii | 111.59 (11) | Eu2—Ca2—Eu2xiv | 0 |
| Ca2v—Ca1—Si1viii | 144.17 (18) | Eu2—Ca2—Si1 | 0 |
| Ca2v—Ca1—O1 | 62.5 (2) | Eu2—Ca2—Si1xi | 0 |
| Ca2v—Ca1—O1ix | 40.7 (4) | Eu2—Ca2—O2xv | 0 |
| Ca2v—Ca1—O1x | 106.9 (3) | Eu2—Ca2—O3xiii | 0 |
| Ca2v—Ca1—O2vi | 85.6 (2) | Eu2—Ca2—O3xvi | 0 |
| Ca2v—Ca1—O2vii | 92.8 (3) | Eu2—Ca2—O4 | 0 |
| Ca2v—Ca1—O2viii | 159.7 (3) | Eu2iv—Ca2—Eu2xi | 60.00 (6) |
| Ca2vi—Ca1—Ca2vii | 103.60 (9) | Eu2iv—Ca2—Eu2xii | 90.00 (7) |
| Ca2vi—Ca1—Ca2viii | 103.60 (9) | Eu2iv—Ca2—Eu2xiii | 90.00 (7) |
| Ca2vi—Ca1—Eu2iii | 96.04 (4) | Eu2iv—Ca2—Eu2viii | 61.96 (6) |
| Ca2vi—Ca1—Eu2iv | 157.62 (7) | Eu2iv—Ca2—Eu2xiv | 61.96 (6) |
| Ca2vi—Ca1—Eu2v | 60.71 (3) | Eu2iv—Ca2—Si1 | 54.66 (15) |
| Ca2vi—Ca1—Eu2vi | 0 | Eu2iv—Ca2—Si1xi | 110.6 (2) |
| Ca2vi—Ca1—Eu2vii | 103.60 (9) | Eu2iv—Ca2—O2xv | 121.9 (4) |
| Ca2vi—Ca1—Eu2viii | 103.60 (9) | Eu2iv—Ca2—O3xiii | 110.2 (2) |
| Ca2vi—Ca1—Si1vi | 48.22 (12) | Eu2iv—Ca2—O3xvi | 110.2 (2) |
| Ca2vi—Ca1—Si1vii | 56.79 (14) | Eu2iv—Ca2—O4 | 30.00 (5) |
| Ca2vi—Ca1—Si1viii | 122.41 (17) | Eu2xi—Ca2—Eu2xii | 61.96 (4) |
| Ca2vi—Ca1—O1 | 122.0 (3) | Eu2xi—Ca2—Eu2xiii | 61.96 (4) |
| Ca2vi—Ca1—O1ix | 71.61 (16) | Eu2xi—Ca2—Eu2viii | 90.00 (6) |
| Ca2vi—Ca1—O1x | 134.2 (2) | Eu2xi—Ca2—Eu2xiv | 90.00 (6) |
| Ca2vi—Ca1—O2vi | 71.9 (2) | Eu2xi—Ca2—Si1 | 114.66 (16) |
| Ca2vi—Ca1—O2vii | 32.2 (3) | Eu2xi—Ca2—Si1xi | 50.64 (19) |
| Ca2vi—Ca1—O2viii | 105.4 (2) | Eu2xi—Ca2—O2xv | 178.1 (4) |
| Ca2vii—Ca1—Ca2viii | 103.60 (10) | Eu2xi—Ca2—O3xiii | 94.20 (14) |
| Ca2vii—Ca1—Eu2iii | 60.71 (4) | Eu2xi—Ca2—O3xvi | 94.20 (14) |
| Ca2vii—Ca1—Eu2iv | 96.04 (5) | Eu2xi—Ca2—O4 | 30.00 (4) |
| Ca2vii—Ca1—Eu2v | 157.62 (4) | Eu2xii—Ca2—Eu2xiii | 114.25 (5) |
| Ca2vii—Ca1—Eu2vi | 103.60 (9) | Eu2xii—Ca2—Eu2viii | 56.08 (4) |
| Ca2vii—Ca1—Eu2vii | 0 | Eu2xii—Ca2—Eu2xiv | 148.50 (9) |
| Ca2vii—Ca1—Eu2viii | 103.60 (10) | Eu2xii—Ca2—Si1 | 116.28 (8) |
| Ca2vii—Ca1—Si1vi | 122.41 (17) | Eu2xii—Ca2—Si1xi | 59.47 (6) |
| Ca2vii—Ca1—Si1vii | 48.22 (13) | Eu2xii—Ca2—O2xv | 117.43 (14) |
| Ca2vii—Ca1—Si1viii | 56.79 (18) | Eu2xii—Ca2—O3xiii | 136.1 (2) |
| Ca2vii—Ca1—O1 | 134.2 (3) | Eu2xii—Ca2—O3xvi | 32.37 (15) |
| Ca2vii—Ca1—O1ix | 122.0 (4) | Eu2xii—Ca2—O4 | 74.25 (5) |
| Ca2vii—Ca1—O1x | 71.6 (3) | Eu2xiii—Ca2—Eu2viii | 148.50 (9) |
| Ca2vii—Ca1—O2vi | 105.4 (3) | Eu2xiii—Ca2—Eu2xiv | 56.08 (4) |
| Ca2vii—Ca1—O2vii | 71.9 (3) | Eu2xiii—Ca2—Si1 | 116.28 (8) |
| Ca2vii—Ca1—O2viii | 32.2 (4) | Eu2xiii—Ca2—Si1xi | 59.47 (6) |
| Ca2viii—Ca1—Eu2iii | 157.62 (5) | Eu2xiii—Ca2—O2xv | 117.43 (14) |
| Ca2viii—Ca1—Eu2iv | 60.71 (4) | Eu2xiii—Ca2—O3xiii | 32.37 (15) |
| Ca2viii—Ca1—Eu2v | 96.04 (5) | Eu2xiii—Ca2—O3xvi | 136.1 (2) |
| Ca2viii—Ca1—Eu2vi | 103.60 (9) | Eu2xiii—Ca2—O4 | 74.25 (5) |
| Ca2viii—Ca1—Eu2vii | 103.60 (10) | Eu2viii—Ca2—Eu2xiv | 114.25 (8) |
| Ca2viii—Ca1—Eu2viii | 0 | Eu2viii—Ca2—Si1 | 60.44 (5) |
| Ca2viii—Ca1—Si1vi | 56.79 (12) | Eu2viii—Ca2—Si1xi | 114.82 (8) |
| Ca2viii—Ca1—Si1vii | 122.41 (18) | Eu2viii—Ca2—O2xv | 91.0 (2) |
| Ca2viii—Ca1—Si1viii | 48.22 (19) | Eu2viii—Ca2—O3xiii | 167.3 (2) |
| Ca2viii—Ca1—O1 | 71.6 (2) | Eu2viii—Ca2—O3xvi | 53.9 (2) |
| Ca2viii—Ca1—O1ix | 134.2 (4) | Eu2viii—Ca2—O4 | 74.25 (7) |
| Ca2viii—Ca1—O1x | 122.0 (2) | Eu2xiv—Ca2—Si1 | 60.44 (5) |
| Ca2viii—Ca1—O2vi | 32.23 (19) | Eu2xiv—Ca2—Si1xi | 114.82 (8) |
| Ca2viii—Ca1—O2vii | 105.4 (3) | Eu2xiv—Ca2—O2xv | 91.0 (2) |
| Ca2viii—Ca1—O2viii | 71.9 (4) | Eu2xiv—Ca2—O3xiii | 53.9 (2) |
| Eu2iii—Ca1—Eu2iv | 102.95 (10) | Eu2xiv—Ca2—O3xvi | 167.3 (2) |
| Eu2iii—Ca1—Eu2v | 102.95 (9) | Eu2xiv—Ca2—O4 | 74.25 (7) |
| Eu2iii—Ca1—Eu2vi | 96.04 (4) | Si1—Ca2—Si1xi | 165.3 (2) |
| Eu2iii—Ca1—Eu2vii | 60.71 (4) | Si1—Ca2—O2xv | 67.3 (4) |
| Eu2iii—Ca1—Eu2viii | 157.62 (5) | Si1—Ca2—O3xiii | 107.0 (2) |
| Eu2iii—Ca1—Si1vi | 144.17 (11) | Si1—Ca2—O3xvi | 107.0 (2) |
| Eu2iii—Ca1—Si1vii | 60.87 (12) | Si1—Ca2—O4 | 84.66 (16) |
| Eu2iii—Ca1—Si1viii | 111.59 (18) | Si1xi—Ca2—O2xv | 127.4 (5) |
| Eu2iii—Ca1—O1 | 106.9 (3) | Si1xi—Ca2—O3xiii | 76.77 (18) |
| Eu2iii—Ca1—O1ix | 62.5 (4) | Si1xi—Ca2—O3xvi | 76.77 (18) |
| Eu2iii—Ca1—O1x | 40.7 (3) | Si1xi—Ca2—O4 | 80.64 (19) |
| Eu2iii—Ca1—O2vi | 159.7 (3) | O2xv—Ca2—O3xiii | 85.1 (2) |
| Eu2iii—Ca1—O2vii | 85.6 (4) | O2xv—Ca2—O3xvi | 85.1 (2) |
| Eu2iii—Ca1—O2viii | 92.8 (4) | O2xv—Ca2—O4 | 151.9 (4) |
| Eu2iv—Ca1—Eu2v | 102.95 (9) | O3xiii—Ca2—O3xvi | 137.4 (4) |
| Eu2iv—Ca1—Eu2vi | 157.62 (7) | O3xiii—Ca2—O4 | 103.97 (19) |
| Eu2iv—Ca1—Eu2vii | 96.04 (5) | O3xvi—Ca2—O4 | 103.97 (19) |
| Eu2iv—Ca1—Eu2viii | 60.71 (4) | Ca1xvii—Eu2—Ca1xviii | 104.79 (6) |
| Eu2iv—Ca1—Si1vi | 111.59 (13) | Ca1xvii—Eu2—Ca1xix | 83.96 (5) |
| Eu2iv—Ca1—Si1vii | 144.17 (14) | Ca1xvii—Eu2—Ca1xx | 50.79 (11) |
| Eu2iv—Ca1—Si1viii | 60.87 (6) | Ca1xvii—Eu2—Eu1xvii | 0 |
| Eu2iv—Ca1—O1 | 40.7 (2) | Ca1xvii—Eu2—Eu1xviii | 104.79 (6) |
| Eu2iv—Ca1—O1ix | 106.9 (3) | Ca1xvii—Eu2—Eu1xix | 83.96 (5) |
| Eu2iv—Ca1—O1x | 62.5 (3) | Ca1xvii—Eu2—Eu1xx | 50.79 (11) |
| Eu2iv—Ca1—O2vi | 92.76 (19) | Ca1xvii—Eu2—Ca2 | 0 |
| Eu2iv—Ca1—O2vii | 159.7 (2) | Ca1xvii—Eu2—Ca2iv | 150.53 (7) |
| Eu2iv—Ca1—O2viii | 85.6 (2) | Ca1xvii—Eu2—Ca2xi | 103.10 (5) |
| Eu2v—Ca1—Eu2vi | 60.71 (3) | Ca1xvii—Eu2—Ca2xii | 60.59 (8) |
| Eu2v—Ca1—Eu2vii | 157.62 (4) | Ca1xvii—Eu2—Ca2xiii | 103.26 (10) |
| Eu2v—Ca1—Eu2viii | 96.04 (5) | Ca1xvii—Eu2—Ca2viii | 96.58 (8) |
| Eu2v—Ca1—Si1vi | 60.87 (7) | Ca1xvii—Eu2—Ca2xiv | 146.60 (9) |
| Eu2v—Ca1—Si1vii | 111.59 (11) | Ca1xvii—Eu2—Eu2iv | 150.53 (7) |
| Eu2v—Ca1—Si1viii | 144.17 (18) | Ca1xvii—Eu2—Eu2xi | 103.10 (5) |
| Eu2v—Ca1—O1 | 62.5 (2) | Ca1xvii—Eu2—Eu2xii | 60.59 (8) |
| Eu2v—Ca1—O1ix | 40.7 (4) | Ca1xvii—Eu2—Eu2xiii | 103.26 (10) |
| Eu2v—Ca1—O1x | 106.9 (3) | Ca1xvii—Eu2—Eu2viii | 96.58 (8) |
| Eu2v—Ca1—O2vi | 85.6 (2) | Ca1xvii—Eu2—Eu2xiv | 146.60 (9) |
| Eu2v—Ca1—O2vii | 92.8 (3) | Ca1xvii—Eu2—Si1 | 134.45 (12) |
| Eu2v—Ca1—O2viii | 159.7 (3) | Ca1xvii—Eu2—Si1xi | 57.83 (17) |
| Eu2vi—Ca1—Eu2vii | 103.60 (9) | Ca1xvii—Eu2—O2xv | 75.2 (4) |
| Eu2vi—Ca1—Eu2viii | 103.60 (9) | Ca1xvii—Eu2—O3xiii | 94.1 (3) |
| Eu2vi—Ca1—Si1vi | 48.22 (12) | Ca1xvii—Eu2—O3xvi | 43.3 (3) |
| Eu2vi—Ca1—Si1vii | 56.79 (14) | Ca1xvii—Eu2—O4 | 129.31 (6) |
| Eu2vi—Ca1—Si1viii | 122.41 (17) | Ca1xviii—Eu2—Ca1xix | 49.70 (10) |
| Eu2vi—Ca1—O1 | 122.0 (3) | Ca1xviii—Eu2—Ca1xx | 83.96 (5) |
| Eu2vi—Ca1—O1ix | 71.61 (16) | Ca1xviii—Eu2—Eu1xvii | 104.79 (6) |
| Eu2vi—Ca1—O1x | 134.2 (2) | Ca1xviii—Eu2—Eu1xviii | 0 |
| Eu2vi—Ca1—O2vi | 71.9 (2) | Ca1xviii—Eu2—Eu1xix | 49.70 (10) |
| Eu2vi—Ca1—O2vii | 32.2 (3) | Ca1xviii—Eu2—Eu1xx | 83.96 (5) |
| Eu2vi—Ca1—O2viii | 105.4 (2) | Ca1xviii—Eu2—Ca2 | 0 |
| Eu2vii—Ca1—Eu2viii | 103.60 (10) | Ca1xviii—Eu2—Ca2iv | 99.26 (6) |
| Eu2vii—Ca1—Si1vi | 122.41 (17) | Ca1xviii—Eu2—Ca2xi | 148.63 (8) |
| Eu2vii—Ca1—Si1vii | 48.22 (13) | Ca1xviii—Eu2—Ca2xii | 146.90 (8) |
| Eu2vii—Ca1—Si1viii | 56.79 (18) | Ca1xviii—Eu2—Ca2xiii | 97.57 (7) |
| Eu2vii—Ca1—O1 | 134.2 (3) | Ca1xviii—Eu2—Ca2viii | 100.73 (8) |
| Eu2vii—Ca1—O1ix | 122.0 (4) | Ca1xviii—Eu2—Ca2xiv | 58.69 (7) |
| Eu2vii—Ca1—O1x | 71.6 (3) | Ca1xviii—Eu2—Eu2iv | 99.26 (6) |
| Eu2vii—Ca1—O2vi | 105.4 (3) | Ca1xviii—Eu2—Eu2xi | 148.63 (8) |
| Eu2vii—Ca1—O2vii | 71.9 (3) | Ca1xviii—Eu2—Eu2xii | 146.90 (8) |
| Eu2vii—Ca1—O2viii | 32.2 (4) | Ca1xviii—Eu2—Eu2xiii | 97.57 (7) |
| Eu2viii—Ca1—Si1vi | 56.79 (12) | Ca1xviii—Eu2—Eu2viii | 100.73 (8) |
| Eu2viii—Ca1—Si1vii | 122.41 (18) | Ca1xviii—Eu2—Eu2xiv | 58.69 (7) |
| Eu2viii—Ca1—Si1viii | 48.22 (19) | Ca1xviii—Eu2—Si1 | 50.56 (12) |
| Eu2viii—Ca1—O1 | 71.6 (2) | Ca1xviii—Eu2—Si1xi | 141.16 (16) |
| Eu2viii—Ca1—O1ix | 134.2 (4) | Ca1xviii—Eu2—O2xv | 32.5 (3) |
| Eu2viii—Ca1—O1x | 122.0 (2) | Ca1xviii—Eu2—O3xiii | 69.84 (15) |
| Eu2viii—Ca1—O2vi | 32.23 (19) | Ca1xviii—Eu2—O3xvi | 116.00 (15) |
| Eu2viii—Ca1—O2vii | 105.4 (3) | Ca1xviii—Eu2—O4 | 125.87 (9) |
| Eu2viii—Ca1—O2viii | 71.9 (4) | Ca1xix—Eu2—Ca1xx | 104.79 (6) |
| Si1vi—Ca1—Si1vii | 93.8 (2) | Ca1xix—Eu2—Eu1xvii | 83.96 (5) |
| Si1vi—Ca1—Si1viii | 93.8 (2) | Ca1xix—Eu2—Eu1xviii | 49.70 (10) |
| Si1vi—Ca1—O1 | 93.7 (3) | Ca1xix—Eu2—Eu1xix | 0 |
| Si1vi—Ca1—O1ix | 97.5 (3) | Ca1xix—Eu2—Eu1xx | 104.79 (6) |
| Si1vi—Ca1—O1x | 165.9 (4) | Ca1xix—Eu2—Ca2 | 0 |
| Si1vi—Ca1—O2vi | 28.9 (2) | Ca1xix—Eu2—Ca2iv | 99.26 (6) |
| Si1vi—Ca1—O2vii | 65.1 (4) | Ca1xix—Eu2—Ca2xi | 148.63 (8) |
| Si1vi—Ca1—O2viii | 98.9 (4) | Ca1xix—Eu2—Ca2xii | 97.57 (7) |
| Si1vii—Ca1—Si1viii | 93.79 (18) | Ca1xix—Eu2—Ca2xiii | 146.90 (8) |
| Si1vii—Ca1—O1 | 165.9 (3) | Ca1xix—Eu2—Ca2viii | 58.69 (7) |
| Si1vii—Ca1—O1ix | 93.7 (4) | Ca1xix—Eu2—Ca2xiv | 100.73 (8) |
| Si1vii—Ca1—O1x | 97.5 (3) | Ca1xix—Eu2—Eu2iv | 99.26 (6) |
| Si1vii—Ca1—O2vi | 98.9 (3) | Ca1xix—Eu2—Eu2xi | 148.63 (8) |
| Si1vii—Ca1—O2vii | 28.9 (4) | Ca1xix—Eu2—Eu2xii | 97.57 (7) |
| Si1vii—Ca1—O2viii | 65.1 (3) | Ca1xix—Eu2—Eu2xiii | 146.90 (8) |
| Si1viii—Ca1—O1 | 97.5 (2) | Ca1xix—Eu2—Eu2viii | 58.69 (7) |
| Si1viii—Ca1—O1ix | 165.9 (2) | Ca1xix—Eu2—Eu2xiv | 100.73 (8) |
| Si1viii—Ca1—O1x | 93.7 (3) | Ca1xix—Eu2—Si1 | 50.56 (12) |
| Si1viii—Ca1—O2vi | 65.1 (3) | Ca1xix—Eu2—Si1xi | 141.16 (16) |
| Si1viii—Ca1—O2vii | 98.9 (2) | Ca1xix—Eu2—O2xv | 32.5 (3) |
| Si1viii—Ca1—O2viii | 28.9 (3) | Ca1xix—Eu2—O3xiii | 116.00 (15) |
| O1—Ca1—O1ix | 73.5 (4) | Ca1xix—Eu2—O3xvi | 69.84 (15) |
| O1—Ca1—O1x | 73.5 (4) | Ca1xix—Eu2—O4 | 125.87 (9) |
| O1—Ca1—O2vi | 93.4 (3) | Ca1xx—Eu2—Eu1xvii | 50.79 (11) |
| O1—Ca1—O2vii | 153.9 (4) | Ca1xx—Eu2—Eu1xviii | 83.96 (5) |
| O1—Ca1—O2viii | 125.2 (3) | Ca1xx—Eu2—Eu1xix | 104.79 (6) |
| O1ix—Ca1—O1x | 73.5 (4) | Ca1xx—Eu2—Eu1xx | 0 |
| O1ix—Ca1—O2vi | 125.2 (4) | Ca1xx—Eu2—Ca2 | 0 |
| O1ix—Ca1—O2vii | 93.4 (3) | Ca1xx—Eu2—Ca2iv | 150.53 (7) |
| O1ix—Ca1—O2viii | 153.9 (5) | Ca1xx—Eu2—Ca2xi | 103.10 (5) |
| O1x—Ca1—O2vi | 153.9 (3) | Ca1xx—Eu2—Ca2xii | 103.26 (10) |
| O1x—Ca1—O2vii | 125.2 (5) | Ca1xx—Eu2—Ca2xiii | 60.59 (8) |
| O1x—Ca1—O2viii | 93.4 (4) | Ca1xx—Eu2—Ca2viii | 146.60 (9) |
| O2vi—Ca1—O2vii | 75.6 (4) | Ca1xx—Eu2—Ca2xiv | 96.58 (8) |
| O2vi—Ca1—O2viii | 75.6 (5) | Ca1xx—Eu2—Eu2iv | 150.53 (7) |
| O2vii—Ca1—O2viii | 75.6 (3) | Ca1xx—Eu2—Eu2xi | 103.10 (5) |
| Ca1—Eu1—Ca1i | 0 | Ca1xx—Eu2—Eu2xii | 103.26 (10) |
| Ca1—Eu1—Ca1ii | 0 | Ca1xx—Eu2—Eu2xiii | 60.59 (8) |
| Ca1—Eu1—Eu1i | 0 | Ca1xx—Eu2—Eu2viii | 146.60 (9) |
| Ca1—Eu1—Eu1ii | 0 | Ca1xx—Eu2—Eu2xiv | 96.58 (8) |
| Ca1—Eu1—Ca2iii | 0 | Ca1xx—Eu2—Si1 | 134.45 (12) |
| Ca1—Eu1—Ca2iv | 0 | Ca1xx—Eu2—Si1xi | 57.83 (17) |
| Ca1—Eu1—Ca2v | 0 | Ca1xx—Eu2—O2xv | 75.2 (4) |
| Ca1—Eu1—Ca2vi | 0 | Ca1xx—Eu2—O3xiii | 43.3 (3) |
| Ca1—Eu1—Ca2vii | 0 | Ca1xx—Eu2—O3xvi | 94.1 (3) |
| Ca1—Eu1—Ca2viii | 0 | Ca1xx—Eu2—O4 | 129.31 (6) |
| Ca1—Eu1—Eu2iii | 0 | Eu1xvii—Eu2—Eu1xviii | 104.79 (6) |
| Ca1—Eu1—Eu2iv | 0 | Eu1xvii—Eu2—Eu1xix | 83.96 (5) |
| Ca1—Eu1—Eu2v | 0 | Eu1xvii—Eu2—Eu1xx | 50.79 (11) |
| Ca1—Eu1—Eu2vi | 0 | Eu1xvii—Eu2—Ca2 | 0 |
| Ca1—Eu1—Eu2vii | 0 | Eu1xvii—Eu2—Ca2iv | 150.53 (7) |
| Ca1—Eu1—Eu2viii | 0 | Eu1xvii—Eu2—Ca2xi | 103.10 (5) |
| Ca1—Eu1—Si1vi | 0 | Eu1xvii—Eu2—Ca2xii | 60.59 (8) |
| Ca1—Eu1—Si1vii | 0 | Eu1xvii—Eu2—Ca2xiii | 103.26 (10) |
| Ca1—Eu1—Si1viii | 0 | Eu1xvii—Eu2—Ca2viii | 96.58 (8) |
| Ca1—Eu1—O1 | 0 | Eu1xvii—Eu2—Ca2xiv | 146.60 (9) |
| Ca1—Eu1—O1ix | 0 | Eu1xvii—Eu2—Eu2iv | 150.53 (7) |
| Ca1—Eu1—O1x | 0 | Eu1xvii—Eu2—Eu2xi | 103.10 (5) |
| Ca1i—Eu1—Ca1ii | 180 | Eu1xvii—Eu2—Eu2xii | 60.59 (8) |
| Ca1i—Eu1—Eu1i | 0 | Eu1xvii—Eu2—Eu2xiii | 103.26 (10) |
| Ca1i—Eu1—Eu1ii | 180 | Eu1xvii—Eu2—Eu2viii | 96.58 (8) |
| Ca1i—Eu1—Ca2iii | 115.39 (7) | Eu1xvii—Eu2—Eu2xiv | 146.60 (9) |
| Ca1i—Eu1—Ca2iv | 115.39 (7) | Eu1xvii—Eu2—Si1 | 134.45 (12) |
| Ca1i—Eu1—Ca2v | 115.39 (7) | Eu1xvii—Eu2—Si1xi | 57.83 (17) |
| Ca1i—Eu1—Ca2vi | 65.15 (7) | Eu1xvii—Eu2—O2xv | 75.2 (4) |
| Ca1i—Eu1—Ca2vii | 65.15 (7) | Eu1xvii—Eu2—O3xiii | 94.1 (3) |
| Ca1i—Eu1—Ca2viii | 65.15 (7) | Eu1xvii—Eu2—O3xvi | 43.3 (3) |
| Ca1i—Eu1—Eu2iii | 115.39 (7) | Eu1xvii—Eu2—O4 | 129.31 (6) |
| Ca1i—Eu1—Eu2iv | 115.39 (7) | Eu1xviii—Eu2—Eu1xix | 49.70 (10) |
| Ca1i—Eu1—Eu2v | 115.39 (7) | Eu1xviii—Eu2—Eu1xx | 83.96 (5) |
| Ca1i—Eu1—Eu2vi | 65.15 (7) | Eu1xviii—Eu2—Ca2 | 0 |
| Ca1i—Eu1—Eu2vii | 65.15 (7) | Eu1xviii—Eu2—Ca2iv | 99.26 (6) |
| Ca1i—Eu1—Eu2viii | 65.15 (7) | Eu1xviii—Eu2—Ca2xi | 148.63 (8) |
| Ca1i—Eu1—Si1vi | 57.47 (11) | Eu1xviii—Eu2—Ca2xii | 146.90 (8) |
| Ca1i—Eu1—Si1vii | 57.47 (13) | Eu1xviii—Eu2—Ca2xiii | 97.57 (7) |
| Ca1i—Eu1—Si1viii | 57.47 (10) | Eu1xviii—Eu2—Ca2viii | 100.73 (8) |
| Ca1i—Eu1—O1 | 136.3 (2) | Eu1xviii—Eu2—Ca2xiv | 58.69 (7) |
| Ca1i—Eu1—O1ix | 136.30 (19) | Eu1xviii—Eu2—Eu2iv | 99.26 (6) |
| Ca1i—Eu1—O1x | 136.3 (3) | Eu1xviii—Eu2—Eu2xi | 148.63 (8) |
| Ca1ii—Eu1—Eu1i | 180 | Eu1xviii—Eu2—Eu2xii | 146.90 (8) |
| Ca1ii—Eu1—Eu1ii | 0 | Eu1xviii—Eu2—Eu2xiii | 97.57 (7) |
| Ca1ii—Eu1—Ca2iii | 64.61 (7) | Eu1xviii—Eu2—Eu2viii | 100.73 (8) |
| Ca1ii—Eu1—Ca2iv | 64.61 (7) | Eu1xviii—Eu2—Eu2xiv | 58.69 (7) |
| Ca1ii—Eu1—Ca2v | 64.61 (7) | Eu1xviii—Eu2—Si1 | 50.56 (12) |
| Ca1ii—Eu1—Ca2vi | 114.85 (7) | Eu1xviii—Eu2—Si1xi | 141.16 (16) |
| Ca1ii—Eu1—Ca2vii | 114.85 (7) | Eu1xviii—Eu2—O2xv | 32.5 (3) |
| Ca1ii—Eu1—Ca2viii | 114.85 (7) | Eu1xviii—Eu2—O3xiii | 69.84 (15) |
| Ca1ii—Eu1—Eu2iii | 64.61 (7) | Eu1xviii—Eu2—O3xvi | 116.00 (15) |
| Ca1ii—Eu1—Eu2iv | 64.61 (7) | Eu1xviii—Eu2—O4 | 125.87 (9) |
| Ca1ii—Eu1—Eu2v | 64.61 (7) | Eu1xix—Eu2—Eu1xx | 104.79 (6) |
| Ca1ii—Eu1—Eu2vi | 114.85 (7) | Eu1xix—Eu2—Ca2 | 0 |
| Ca1ii—Eu1—Eu2vii | 114.85 (7) | Eu1xix—Eu2—Ca2iv | 99.26 (6) |
| Ca1ii—Eu1—Eu2viii | 114.85 (7) | Eu1xix—Eu2—Ca2xi | 148.63 (8) |
| Ca1ii—Eu1—Si1vi | 122.53 (11) | Eu1xix—Eu2—Ca2xii | 97.57 (7) |
| Ca1ii—Eu1—Si1vii | 122.53 (13) | Eu1xix—Eu2—Ca2xiii | 146.90 (8) |
| Ca1ii—Eu1—Si1viii | 122.53 (10) | Eu1xix—Eu2—Ca2viii | 58.69 (7) |
| Ca1ii—Eu1—O1 | 43.7 (2) | Eu1xix—Eu2—Ca2xiv | 100.73 (8) |
| Ca1ii—Eu1—O1ix | 43.70 (19) | Eu1xix—Eu2—Eu2iv | 99.26 (6) |
| Ca1ii—Eu1—O1x | 43.7 (3) | Eu1xix—Eu2—Eu2xi | 148.63 (8) |
| Eu1i—Eu1—Eu1ii | 180 | Eu1xix—Eu2—Eu2xii | 97.57 (7) |
| Eu1i—Eu1—Ca2iii | 115.39 (7) | Eu1xix—Eu2—Eu2xiii | 146.90 (8) |
| Eu1i—Eu1—Ca2iv | 115.39 (7) | Eu1xix—Eu2—Eu2viii | 58.69 (7) |
| Eu1i—Eu1—Ca2v | 115.39 (7) | Eu1xix—Eu2—Eu2xiv | 100.73 (8) |
| Eu1i—Eu1—Ca2vi | 65.15 (7) | Eu1xix—Eu2—Si1 | 50.56 (12) |
| Eu1i—Eu1—Ca2vii | 65.15 (7) | Eu1xix—Eu2—Si1xi | 141.16 (16) |
| Eu1i—Eu1—Ca2viii | 65.15 (7) | Eu1xix—Eu2—O2xv | 32.5 (3) |
| Eu1i—Eu1—Eu2iii | 115.39 (7) | Eu1xix—Eu2—O3xiii | 116.00 (15) |
| Eu1i—Eu1—Eu2iv | 115.39 (7) | Eu1xix—Eu2—O3xvi | 69.84 (15) |
| Eu1i—Eu1—Eu2v | 115.39 (7) | Eu1xix—Eu2—O4 | 125.87 (9) |
| Eu1i—Eu1—Eu2vi | 65.15 (7) | Eu1xx—Eu2—Ca2 | 0 |
| Eu1i—Eu1—Eu2vii | 65.15 (7) | Eu1xx—Eu2—Ca2iv | 150.53 (7) |
| Eu1i—Eu1—Eu2viii | 65.15 (7) | Eu1xx—Eu2—Ca2xi | 103.10 (5) |
| Eu1i—Eu1—Si1vi | 57.47 (11) | Eu1xx—Eu2—Ca2xii | 103.26 (10) |
| Eu1i—Eu1—Si1vii | 57.47 (13) | Eu1xx—Eu2—Ca2xiii | 60.59 (8) |
| Eu1i—Eu1—Si1viii | 57.47 (10) | Eu1xx—Eu2—Ca2viii | 146.60 (9) |
| Eu1i—Eu1—O1 | 136.3 (2) | Eu1xx—Eu2—Ca2xiv | 96.58 (8) |
| Eu1i—Eu1—O1ix | 136.30 (19) | Eu1xx—Eu2—Eu2iv | 150.53 (7) |
| Eu1i—Eu1—O1x | 136.3 (3) | Eu1xx—Eu2—Eu2xi | 103.10 (5) |
| Eu1ii—Eu1—Ca2iii | 64.61 (7) | Eu1xx—Eu2—Eu2xii | 103.26 (10) |
| Eu1ii—Eu1—Ca2iv | 64.61 (7) | Eu1xx—Eu2—Eu2xiii | 60.59 (8) |
| Eu1ii—Eu1—Ca2v | 64.61 (7) | Eu1xx—Eu2—Eu2viii | 146.60 (9) |
| Eu1ii—Eu1—Ca2vi | 114.85 (7) | Eu1xx—Eu2—Eu2xiv | 96.58 (8) |
| Eu1ii—Eu1—Ca2vii | 114.85 (7) | Eu1xx—Eu2—Si1 | 134.45 (12) |
| Eu1ii—Eu1—Ca2viii | 114.85 (7) | Eu1xx—Eu2—Si1xi | 57.83 (17) |
| Eu1ii—Eu1—Eu2iii | 64.61 (7) | Eu1xx—Eu2—O2xv | 75.2 (4) |
| Eu1ii—Eu1—Eu2iv | 64.61 (7) | Eu1xx—Eu2—O3xiii | 43.3 (3) |
| Eu1ii—Eu1—Eu2v | 64.61 (7) | Eu1xx—Eu2—O3xvi | 94.1 (3) |
| Eu1ii—Eu1—Eu2vi | 114.85 (7) | Eu1xx—Eu2—O4 | 129.31 (6) |
| Eu1ii—Eu1—Eu2vii | 114.85 (7) | Ca2—Eu2—Ca2iv | 0 |
| Eu1ii—Eu1—Eu2viii | 114.85 (7) | Ca2—Eu2—Ca2xi | 0 |
| Eu1ii—Eu1—Si1vi | 122.53 (11) | Ca2—Eu2—Ca2xii | 0 |
| Eu1ii—Eu1—Si1vii | 122.53 (13) | Ca2—Eu2—Ca2xiii | 0 |
| Eu1ii—Eu1—Si1viii | 122.53 (10) | Ca2—Eu2—Ca2viii | 0 |
| Eu1ii—Eu1—O1 | 43.7 (2) | Ca2—Eu2—Ca2xiv | 0 |
| Eu1ii—Eu1—O1ix | 43.70 (19) | Ca2—Eu2—Eu2iv | 0 |
| Eu1ii—Eu1—O1x | 43.7 (3) | Ca2—Eu2—Eu2xi | 0 |
| Ca2iii—Eu1—Ca2iv | 102.95 (10) | Ca2—Eu2—Eu2xii | 0 |
| Ca2iii—Eu1—Ca2v | 102.95 (9) | Ca2—Eu2—Eu2xiii | 0 |
| Ca2iii—Eu1—Ca2vi | 96.04 (4) | Ca2—Eu2—Eu2viii | 0 |
| Ca2iii—Eu1—Ca2vii | 60.71 (4) | Ca2—Eu2—Eu2xiv | 0 |
| Ca2iii—Eu1—Ca2viii | 157.62 (5) | Ca2—Eu2—Si1 | 0 |
| Ca2iii—Eu1—Eu2iii | 0 | Ca2—Eu2—Si1xi | 0 |
| Ca2iii—Eu1—Eu2iv | 102.95 (10) | Ca2—Eu2—O2xv | 0 |
| Ca2iii—Eu1—Eu2v | 102.95 (9) | Ca2—Eu2—O3xiii | 0 |
| Ca2iii—Eu1—Eu2vi | 96.04 (4) | Ca2—Eu2—O3xvi | 0 |
| Ca2iii—Eu1—Eu2vii | 60.71 (4) | Ca2—Eu2—O4 | 0 |
| Ca2iii—Eu1—Eu2viii | 157.62 (5) | Ca2iv—Eu2—Ca2xi | 60.00 (6) |
| Ca2iii—Eu1—Si1vi | 144.17 (11) | Ca2iv—Eu2—Ca2xii | 90.00 (7) |
| Ca2iii—Eu1—Si1vii | 60.87 (12) | Ca2iv—Eu2—Ca2xiii | 90.00 (7) |
| Ca2iii—Eu1—Si1viii | 111.59 (18) | Ca2iv—Eu2—Ca2viii | 61.96 (6) |
| Ca2iii—Eu1—O1 | 106.9 (3) | Ca2iv—Eu2—Ca2xiv | 61.96 (6) |
| Ca2iii—Eu1—O1ix | 62.5 (4) | Ca2iv—Eu2—Eu2iv | 0 |
| Ca2iii—Eu1—O1x | 40.7 (3) | Ca2iv—Eu2—Eu2xi | 60.00 (6) |
| Ca2iv—Eu1—Ca2v | 102.95 (9) | Ca2iv—Eu2—Eu2xii | 90.00 (7) |
| Ca2iv—Eu1—Ca2vi | 157.62 (7) | Ca2iv—Eu2—Eu2xiii | 90.00 (7) |
| Ca2iv—Eu1—Ca2vii | 96.04 (5) | Ca2iv—Eu2—Eu2viii | 61.96 (6) |
| Ca2iv—Eu1—Ca2viii | 60.71 (4) | Ca2iv—Eu2—Eu2xiv | 61.96 (6) |
| Ca2iv—Eu1—Eu2iii | 102.95 (10) | Ca2iv—Eu2—Si1 | 54.66 (15) |
| Ca2iv—Eu1—Eu2iv | 0 | Ca2iv—Eu2—Si1xi | 110.6 (2) |
| Ca2iv—Eu1—Eu2v | 102.95 (9) | Ca2iv—Eu2—O2xv | 121.9 (4) |
| Ca2iv—Eu1—Eu2vi | 157.62 (7) | Ca2iv—Eu2—O3xiii | 110.2 (2) |
| Ca2iv—Eu1—Eu2vii | 96.04 (5) | Ca2iv—Eu2—O3xvi | 110.2 (2) |
| Ca2iv—Eu1—Eu2viii | 60.71 (4) | Ca2iv—Eu2—O4 | 30.00 (5) |
| Ca2iv—Eu1—Si1vi | 111.59 (13) | Ca2xi—Eu2—Ca2xii | 61.96 (4) |
| Ca2iv—Eu1—Si1vii | 144.17 (14) | Ca2xi—Eu2—Ca2xiii | 61.96 (4) |
| Ca2iv—Eu1—Si1viii | 60.87 (6) | Ca2xi—Eu2—Ca2viii | 90.00 (6) |
| Ca2iv—Eu1—O1 | 40.7 (2) | Ca2xi—Eu2—Ca2xiv | 90.00 (6) |
| Ca2iv—Eu1—O1ix | 106.9 (3) | Ca2xi—Eu2—Eu2iv | 60.00 (6) |
| Ca2iv—Eu1—O1x | 62.5 (3) | Ca2xi—Eu2—Eu2xi | 0 |
| Ca2v—Eu1—Ca2vi | 60.71 (3) | Ca2xi—Eu2—Eu2xii | 61.96 (4) |
| Ca2v—Eu1—Ca2vii | 157.62 (4) | Ca2xi—Eu2—Eu2xiii | 61.96 (4) |
| Ca2v—Eu1—Ca2viii | 96.04 (5) | Ca2xi—Eu2—Eu2viii | 90.00 (6) |
| Ca2v—Eu1—Eu2iii | 102.95 (9) | Ca2xi—Eu2—Eu2xiv | 90.00 (6) |
| Ca2v—Eu1—Eu2iv | 102.95 (9) | Ca2xi—Eu2—Si1 | 114.66 (16) |
| Ca2v—Eu1—Eu2v | 0 | Ca2xi—Eu2—Si1xi | 50.64 (19) |
| Ca2v—Eu1—Eu2vi | 60.71 (3) | Ca2xi—Eu2—O2xv | 178.1 (4) |
| Ca2v—Eu1—Eu2vii | 157.62 (4) | Ca2xi—Eu2—O3xiii | 94.20 (14) |
| Ca2v—Eu1—Eu2viii | 96.04 (5) | Ca2xi—Eu2—O3xvi | 94.20 (14) |
| Ca2v—Eu1—Si1vi | 60.87 (7) | Ca2xi—Eu2—O4 | 30.00 (4) |
| Ca2v—Eu1—Si1vii | 111.59 (11) | Ca2xii—Eu2—Ca2xiii | 114.25 (5) |
| Ca2v—Eu1—Si1viii | 144.17 (18) | Ca2xii—Eu2—Ca2viii | 56.08 (4) |
| Ca2v—Eu1—O1 | 62.5 (2) | Ca2xii—Eu2—Ca2xiv | 148.50 (9) |
| Ca2v—Eu1—O1ix | 40.7 (4) | Ca2xii—Eu2—Eu2iv | 90.00 (7) |
| Ca2v—Eu1—O1x | 106.9 (3) | Ca2xii—Eu2—Eu2xi | 61.96 (4) |
| Ca2vi—Eu1—Ca2vii | 103.60 (9) | Ca2xii—Eu2—Eu2xii | 0 |
| Ca2vi—Eu1—Ca2viii | 103.60 (9) | Ca2xii—Eu2—Eu2xiii | 114.25 (5) |
| Ca2vi—Eu1—Eu2iii | 96.04 (4) | Ca2xii—Eu2—Eu2viii | 56.08 (4) |
| Ca2vi—Eu1—Eu2iv | 157.62 (7) | Ca2xii—Eu2—Eu2xiv | 148.50 (9) |
| Ca2vi—Eu1—Eu2v | 60.71 (3) | Ca2xii—Eu2—Si1 | 116.28 (8) |
| Ca2vi—Eu1—Eu2vi | 0 | Ca2xii—Eu2—Si1xi | 59.47 (6) |
| Ca2vi—Eu1—Eu2vii | 103.60 (9) | Ca2xii—Eu2—O2xv | 117.43 (14) |
| Ca2vi—Eu1—Eu2viii | 103.60 (9) | Ca2xii—Eu2—O3xiii | 136.1 (2) |
| Ca2vi—Eu1—Si1vi | 48.22 (12) | Ca2xii—Eu2—O3xvi | 32.37 (15) |
| Ca2vi—Eu1—Si1vii | 56.79 (14) | Ca2xii—Eu2—O4 | 74.25 (5) |
| Ca2vi—Eu1—Si1viii | 122.41 (17) | Ca2xiii—Eu2—Ca2viii | 148.50 (9) |
| Ca2vi—Eu1—O1 | 122.0 (3) | Ca2xiii—Eu2—Ca2xiv | 56.08 (4) |
| Ca2vi—Eu1—O1ix | 71.61 (16) | Ca2xiii—Eu2—Eu2iv | 90.00 (7) |
| Ca2vi—Eu1—O1x | 134.2 (2) | Ca2xiii—Eu2—Eu2xi | 61.96 (4) |
| Ca2vii—Eu1—Ca2viii | 103.60 (10) | Ca2xiii—Eu2—Eu2xii | 114.25 (5) |
| Ca2vii—Eu1—Eu2iii | 60.71 (4) | Ca2xiii—Eu2—Eu2xiii | 0 |
| Ca2vii—Eu1—Eu2iv | 96.04 (5) | Ca2xiii—Eu2—Eu2viii | 148.50 (9) |
| Ca2vii—Eu1—Eu2v | 157.62 (4) | Ca2xiii—Eu2—Eu2xiv | 56.08 (4) |
| Ca2vii—Eu1—Eu2vi | 103.60 (9) | Ca2xiii—Eu2—Si1 | 116.28 (8) |
| Ca2vii—Eu1—Eu2vii | 0 | Ca2xiii—Eu2—Si1xi | 59.47 (6) |
| Ca2vii—Eu1—Eu2viii | 103.60 (10) | Ca2xiii—Eu2—O2xv | 117.43 (14) |
| Ca2vii—Eu1—Si1vi | 122.41 (17) | Ca2xiii—Eu2—O3xiii | 32.37 (15) |
| Ca2vii—Eu1—Si1vii | 48.22 (13) | Ca2xiii—Eu2—O3xvi | 136.1 (2) |
| Ca2vii—Eu1—Si1viii | 56.79 (18) | Ca2xiii—Eu2—O4 | 74.25 (5) |
| Ca2vii—Eu1—O1 | 134.2 (3) | Ca2viii—Eu2—Ca2xiv | 114.25 (8) |
| Ca2vii—Eu1—O1ix | 122.0 (4) | Ca2viii—Eu2—Eu2iv | 61.96 (6) |
| Ca2vii—Eu1—O1x | 71.6 (3) | Ca2viii—Eu2—Eu2xi | 90.00 (6) |
| Ca2viii—Eu1—Eu2iii | 157.62 (5) | Ca2viii—Eu2—Eu2xii | 56.08 (4) |
| Ca2viii—Eu1—Eu2iv | 60.71 (4) | Ca2viii—Eu2—Eu2xiii | 148.50 (9) |
| Ca2viii—Eu1—Eu2v | 96.04 (5) | Ca2viii—Eu2—Eu2viii | 0 |
| Ca2viii—Eu1—Eu2vi | 103.60 (9) | Ca2viii—Eu2—Eu2xiv | 114.25 (8) |
| Ca2viii—Eu1—Eu2vii | 103.60 (10) | Ca2viii—Eu2—Si1 | 60.44 (5) |
| Ca2viii—Eu1—Eu2viii | 0 | Ca2viii—Eu2—Si1xi | 114.82 (8) |
| Ca2viii—Eu1—Si1vi | 56.79 (12) | Ca2viii—Eu2—O2xv | 91.0 (2) |
| Ca2viii—Eu1—Si1vii | 122.41 (18) | Ca2viii—Eu2—O3xiii | 167.3 (2) |
| Ca2viii—Eu1—Si1viii | 48.22 (19) | Ca2viii—Eu2—O3xvi | 53.9 (2) |
| Ca2viii—Eu1—O1 | 71.6 (2) | Ca2viii—Eu2—O4 | 74.25 (7) |
| Ca2viii—Eu1—O1ix | 134.2 (4) | Ca2xiv—Eu2—Eu2iv | 61.96 (6) |
| Ca2viii—Eu1—O1x | 122.0 (2) | Ca2xiv—Eu2—Eu2xi | 90.00 (6) |
| Eu2iii—Eu1—Eu2iv | 102.95 (10) | Ca2xiv—Eu2—Eu2xii | 148.50 (9) |
| Eu2iii—Eu1—Eu2v | 102.95 (9) | Ca2xiv—Eu2—Eu2xiii | 56.08 (4) |
| Eu2iii—Eu1—Eu2vi | 96.04 (4) | Ca2xiv—Eu2—Eu2viii | 114.25 (8) |
| Eu2iii—Eu1—Eu2vii | 60.71 (4) | Ca2xiv—Eu2—Eu2xiv | 0 |
| Eu2iii—Eu1—Eu2viii | 157.62 (5) | Ca2xiv—Eu2—Si1 | 60.44 (5) |
| Eu2iii—Eu1—Si1vi | 144.17 (11) | Ca2xiv—Eu2—Si1xi | 114.82 (8) |
| Eu2iii—Eu1—Si1vii | 60.87 (12) | Ca2xiv—Eu2—O2xv | 91.0 (2) |
| Eu2iii—Eu1—Si1viii | 111.59 (18) | Ca2xiv—Eu2—O3xiii | 53.9 (2) |
| Eu2iii—Eu1—O1 | 106.9 (3) | Ca2xiv—Eu2—O3xvi | 167.3 (2) |
| Eu2iii—Eu1—O1ix | 62.5 (4) | Ca2xiv—Eu2—O4 | 74.25 (7) |
| Eu2iii—Eu1—O1x | 40.7 (3) | Eu2iv—Eu2—Eu2xi | 60.00 (6) |
| Eu2iv—Eu1—Eu2v | 102.95 (9) | Eu2iv—Eu2—Eu2xii | 90.00 (7) |
| Eu2iv—Eu1—Eu2vi | 157.62 (7) | Eu2iv—Eu2—Eu2xiii | 90.00 (7) |
| Eu2iv—Eu1—Eu2vii | 96.04 (5) | Eu2iv—Eu2—Eu2viii | 61.96 (6) |
| Eu2iv—Eu1—Eu2viii | 60.71 (4) | Eu2iv—Eu2—Eu2xiv | 61.96 (6) |
| Eu2iv—Eu1—Si1vi | 111.59 (13) | Eu2iv—Eu2—Si1 | 54.66 (15) |
| Eu2iv—Eu1—Si1vii | 144.17 (14) | Eu2iv—Eu2—Si1xi | 110.6 (2) |
| Eu2iv—Eu1—Si1viii | 60.87 (6) | Eu2iv—Eu2—O2xv | 121.9 (4) |
| Eu2iv—Eu1—O1 | 40.7 (2) | Eu2iv—Eu2—O3xiii | 110.2 (2) |
| Eu2iv—Eu1—O1ix | 106.9 (3) | Eu2iv—Eu2—O3xvi | 110.2 (2) |
| Eu2iv—Eu1—O1x | 62.5 (3) | Eu2iv—Eu2—O4 | 30.00 (5) |
| Eu2v—Eu1—Eu2vi | 60.71 (3) | Eu2xi—Eu2—Eu2xii | 61.96 (4) |
| Eu2v—Eu1—Eu2vii | 157.62 (4) | Eu2xi—Eu2—Eu2xiii | 61.96 (4) |
| Eu2v—Eu1—Eu2viii | 96.04 (5) | Eu2xi—Eu2—Eu2viii | 90.00 (6) |
| Eu2v—Eu1—Si1vi | 60.87 (7) | Eu2xi—Eu2—Eu2xiv | 90.00 (6) |
| Eu2v—Eu1—Si1vii | 111.59 (11) | Eu2xi—Eu2—Si1 | 114.66 (16) |
| Eu2v—Eu1—Si1viii | 144.17 (18) | Eu2xi—Eu2—Si1xi | 50.64 (19) |
| Eu2v—Eu1—O1 | 62.5 (2) | Eu2xi—Eu2—O2xv | 178.1 (4) |
| Eu2v—Eu1—O1ix | 40.7 (4) | Eu2xi—Eu2—O3xiii | 94.20 (14) |
| Eu2v—Eu1—O1x | 106.9 (3) | Eu2xi—Eu2—O3xvi | 94.20 (14) |
| Eu2vi—Eu1—Eu2vii | 103.60 (9) | Eu2xi—Eu2—O4 | 30.00 (4) |
| Eu2vi—Eu1—Eu2viii | 103.60 (9) | Eu2xii—Eu2—Eu2xiii | 114.25 (5) |
| Eu2vi—Eu1—Si1vi | 48.22 (12) | Eu2xii—Eu2—Eu2viii | 56.08 (4) |
| Eu2vi—Eu1—Si1vii | 56.79 (14) | Eu2xii—Eu2—Eu2xiv | 148.50 (9) |
| Eu2vi—Eu1—Si1viii | 122.41 (17) | Eu2xii—Eu2—Si1 | 116.28 (8) |
| Eu2vi—Eu1—O1 | 122.0 (3) | Eu2xii—Eu2—Si1xi | 59.47 (6) |
| Eu2vi—Eu1—O1ix | 71.61 (16) | Eu2xii—Eu2—O2xv | 117.43 (14) |
| Eu2vi—Eu1—O1x | 134.2 (2) | Eu2xii—Eu2—O3xiii | 136.1 (2) |
| Eu2vii—Eu1—Eu2viii | 103.60 (10) | Eu2xii—Eu2—O3xvi | 32.37 (15) |
| Eu2vii—Eu1—Si1vi | 122.41 (17) | Eu2xii—Eu2—O4 | 74.25 (5) |
| Eu2vii—Eu1—Si1vii | 48.22 (13) | Eu2xiii—Eu2—Eu2viii | 148.50 (9) |
| Eu2vii—Eu1—Si1viii | 56.79 (18) | Eu2xiii—Eu2—Eu2xiv | 56.08 (4) |
| Eu2vii—Eu1—O1 | 134.2 (3) | Eu2xiii—Eu2—Si1 | 116.28 (8) |
| Eu2vii—Eu1—O1ix | 122.0 (4) | Eu2xiii—Eu2—Si1xi | 59.47 (6) |
| Eu2vii—Eu1—O1x | 71.6 (3) | Eu2xiii—Eu2—O2xv | 117.43 (14) |
| Eu2viii—Eu1—Si1vi | 56.79 (12) | Eu2xiii—Eu2—O3xiii | 32.37 (15) |
| Eu2viii—Eu1—Si1vii | 122.41 (18) | Eu2xiii—Eu2—O3xvi | 136.1 (2) |
| Eu2viii—Eu1—Si1viii | 48.22 (19) | Eu2xiii—Eu2—O4 | 74.25 (5) |
| Eu2viii—Eu1—O1 | 71.6 (2) | Eu2viii—Eu2—Eu2xiv | 114.25 (8) |
| Eu2viii—Eu1—O1ix | 134.2 (4) | Eu2viii—Eu2—Si1 | 60.44 (5) |
| Eu2viii—Eu1—O1x | 122.0 (2) | Eu2viii—Eu2—Si1xi | 114.82 (8) |
| Si1vi—Eu1—Si1vii | 93.8 (2) | Eu2viii—Eu2—O2xv | 91.0 (2) |
| Si1vi—Eu1—Si1viii | 93.8 (2) | Eu2viii—Eu2—O3xiii | 167.3 (2) |
| Si1vi—Eu1—O1 | 93.7 (3) | Eu2viii—Eu2—O3xvi | 53.9 (2) |
| Si1vi—Eu1—O1ix | 97.5 (3) | Eu2viii—Eu2—O4 | 74.25 (7) |
| Si1vi—Eu1—O1x | 165.9 (4) | Eu2xiv—Eu2—Si1 | 60.44 (5) |
| Si1vii—Eu1—Si1viii | 93.79 (18) | Eu2xiv—Eu2—Si1xi | 114.82 (8) |
| Si1vii—Eu1—O1 | 165.9 (3) | Eu2xiv—Eu2—O2xv | 91.0 (2) |
| Si1vii—Eu1—O1ix | 93.7 (4) | Eu2xiv—Eu2—O3xiii | 53.9 (2) |
| Si1vii—Eu1—O1x | 97.5 (3) | Eu2xiv—Eu2—O3xvi | 167.3 (2) |
| Si1viii—Eu1—O1 | 97.5 (2) | Eu2xiv—Eu2—O4 | 74.25 (7) |
| Si1viii—Eu1—O1ix | 165.9 (2) | Si1—Eu2—Si1xi | 165.3 (2) |
| Si1viii—Eu1—O1x | 93.7 (3) | Si1—Eu2—O2xv | 67.3 (4) |
| O1—Eu1—O1ix | 73.5 (4) | Si1—Eu2—O3xiii | 107.0 (2) |
| O1—Eu1—O1x | 73.5 (4) | Si1—Eu2—O3xvi | 107.0 (2) |
| O1ix—Eu1—O1x | 73.5 (4) | Si1—Eu2—O4 | 84.66 (16) |
| Ca1xvii—Ca2—Ca1xviii | 104.79 (6) | Si1xi—Eu2—O2xv | 127.4 (5) |
| Ca1xvii—Ca2—Ca1xix | 83.96 (5) | Si1xi—Eu2—O3xiii | 76.77 (18) |
| Ca1xvii—Ca2—Ca1xx | 50.79 (11) | Si1xi—Eu2—O3xvi | 76.77 (18) |
| Ca1xvii—Ca2—Eu1xvii | 0 | Si1xi—Eu2—O4 | 80.64 (19) |
| Ca1xvii—Ca2—Eu1xviii | 104.79 (6) | O2xv—Eu2—O3xiii | 85.1 (2) |
| Ca1xvii—Ca2—Eu1xix | 83.96 (5) | O2xv—Eu2—O3xvi | 85.1 (2) |
| Ca1xvii—Ca2—Eu1xx | 50.79 (11) | O2xv—Eu2—O4 | 151.9 (4) |
| Ca1xvii—Ca2—Ca2iv | 150.53 (7) | O3xiii—Eu2—O3xvi | 137.4 (4) |
| Ca1xvii—Ca2—Ca2xi | 103.10 (5) | O3xiii—Eu2—O4 | 103.97 (19) |
| Ca1xvii—Ca2—Ca2xii | 60.59 (8) | O3xvi—Eu2—O4 | 103.97 (19) |
| Ca1xvii—Ca2—Ca2xiii | 103.26 (10) | Ca1xviii—Si1—Ca1xix | 65.07 (19) |
| Ca1xvii—Ca2—Ca2viii | 96.58 (8) | Ca1xviii—Si1—Eu1xviii | 0 |
| Ca1xvii—Ca2—Ca2xiv | 146.60 (9) | Ca1xviii—Si1—Eu1xix | 65.07 (19) |
| Ca1xvii—Ca2—Eu2 | 0 | Ca1xviii—Si1—Ca2 | 81.22 (19) |
| Ca1xvii—Ca2—Eu2iv | 150.53 (7) | Ca1xviii—Si1—Ca2iv | 139.42 (14) |
| Ca1xvii—Ca2—Eu2xi | 103.10 (5) | Ca1xviii—Si1—Eu2 | 81.22 (19) |
| Ca1xvii—Ca2—Eu2xii | 60.59 (8) | Ca1xviii—Si1—Eu2iv | 139.42 (14) |
| Ca1xvii—Ca2—Eu2xiii | 103.26 (10) | Ca1xviii—Si1—O1 | 137.0 (3) |
| Ca1xvii—Ca2—Eu2viii | 96.58 (8) | Ca1xviii—Si1—O2 | 47.8 (4) |
| Ca1xvii—Ca2—Eu2xiv | 146.60 (9) | Ca1xviii—Si1—O3 | 112.0 (5) |
| Ca1xvii—Ca2—Si1 | 134.45 (12) | Ca1xviii—Si1—O3ii | 61.6 (3) |
| Ca1xvii—Ca2—Si1xi | 57.83 (17) | Ca1xix—Si1—Eu1xviii | 65.07 (19) |
| Ca1xvii—Ca2—O2xv | 75.2 (4) | Ca1xix—Si1—Eu1xix | 0 |
| Ca1xvii—Ca2—O3xiii | 94.1 (3) | Ca1xix—Si1—Ca2 | 81.22 (19) |
| Ca1xvii—Ca2—O3xvi | 43.3 (3) | Ca1xix—Si1—Ca2iv | 139.42 (14) |
| Ca1xvii—Ca2—O4 | 129.31 (6) | Ca1xix—Si1—Eu2 | 81.22 (19) |
| Ca1xviii—Ca2—Ca1xix | 49.70 (10) | Ca1xix—Si1—Eu2iv | 139.42 (14) |
| Ca1xviii—Ca2—Ca1xx | 83.96 (5) | Ca1xix—Si1—O1 | 137.0 (3) |
| Ca1xviii—Ca2—Eu1xvii | 104.79 (6) | Ca1xix—Si1—O2 | 47.8 (4) |
| Ca1xviii—Ca2—Eu1xviii | 0 | Ca1xix—Si1—O3 | 61.6 (3) |
| Ca1xviii—Ca2—Eu1xix | 49.70 (10) | Ca1xix—Si1—O3ii | 112.0 (5) |
| Ca1xviii—Ca2—Eu1xx | 83.96 (5) | Eu1xviii—Si1—Eu1xix | 65.07 (19) |
| Ca1xviii—Ca2—Ca2iv | 99.26 (6) | Eu1xviii—Si1—Ca2 | 81.22 (19) |
| Ca1xviii—Ca2—Ca2xi | 148.63 (8) | Eu1xviii—Si1—Ca2iv | 139.42 (14) |
| Ca1xviii—Ca2—Ca2xii | 146.90 (8) | Eu1xviii—Si1—Eu2 | 81.22 (19) |
| Ca1xviii—Ca2—Ca2xiii | 97.57 (7) | Eu1xviii—Si1—Eu2iv | 139.42 (14) |
| Ca1xviii—Ca2—Ca2viii | 100.73 (8) | Eu1xviii—Si1—O1 | 137.0 (3) |
| Ca1xviii—Ca2—Ca2xiv | 58.69 (7) | Eu1xviii—Si1—O2 | 47.8 (4) |
| Ca1xviii—Ca2—Eu2 | 0 | Eu1xviii—Si1—O3 | 112.0 (5) |
| Ca1xviii—Ca2—Eu2iv | 99.26 (6) | Eu1xviii—Si1—O3ii | 61.6 (3) |
| Ca1xviii—Ca2—Eu2xi | 148.63 (8) | Eu1xix—Si1—Ca2 | 81.22 (19) |
| Ca1xviii—Ca2—Eu2xii | 146.90 (8) | Eu1xix—Si1—Ca2iv | 139.42 (14) |
| Ca1xviii—Ca2—Eu2xiii | 97.57 (7) | Eu1xix—Si1—Eu2 | 81.22 (19) |
| Ca1xviii—Ca2—Eu2viii | 100.73 (8) | Eu1xix—Si1—Eu2iv | 139.42 (14) |
| Ca1xviii—Ca2—Eu2xiv | 58.69 (7) | Eu1xix—Si1—O1 | 137.0 (3) |
| Ca1xviii—Ca2—Si1 | 50.56 (12) | Eu1xix—Si1—O2 | 47.8 (4) |
| Ca1xviii—Ca2—Si1xi | 141.16 (16) | Eu1xix—Si1—O3 | 61.6 (3) |
| Ca1xviii—Ca2—O2xv | 32.5 (3) | Eu1xix—Si1—O3ii | 112.0 (5) |
| Ca1xviii—Ca2—O3xiii | 69.84 (15) | Ca2—Si1—Ca2iv | 74.70 (13) |
| Ca1xviii—Ca2—O3xvi | 116.00 (15) | Ca2—Si1—Eu2 | 0 |
| Ca1xviii—Ca2—O4 | 125.87 (9) | Ca2—Si1—Eu2iv | 74.70 (13) |
| Ca1xix—Ca2—Ca1xx | 104.79 (6) | Ca2—Si1—O1 | 130.3 (4) |
| Ca1xix—Ca2—Eu1xvii | 83.96 (5) | Ca2—Si1—O2 | 116.7 (6) |
| Ca1xix—Ca2—Eu1xviii | 49.70 (10) | Ca2—Si1—O3 | 52.4 (3) |
| Ca1xix—Ca2—Eu1xix | 0 | Ca2—Si1—O3ii | 52.4 (3) |
| Ca1xix—Ca2—Eu1xx | 104.79 (6) | Ca2iv—Si1—Eu2 | 74.70 (13) |
| Ca1xix—Ca2—Ca2iv | 99.26 (6) | Ca2iv—Si1—Eu2iv | 0 |
| Ca1xix—Ca2—Ca2xi | 148.63 (8) | Ca2iv—Si1—O1 | 55.6 (3) |
| Ca1xix—Ca2—Ca2xii | 97.57 (7) | Ca2iv—Si1—O2 | 168.6 (6) |
| Ca1xix—Ca2—Ca2xiii | 146.90 (8) | Ca2iv—Si1—O3 | 77.8 (3) |
| Ca1xix—Ca2—Ca2viii | 58.69 (7) | Ca2iv—Si1—O3ii | 77.8 (3) |
| Ca1xix—Ca2—Ca2xiv | 100.73 (8) | Eu2—Si1—Eu2iv | 74.70 (13) |
| Ca1xix—Ca2—Eu2 | 0 | Eu2—Si1—O1 | 130.3 (4) |
| Ca1xix—Ca2—Eu2iv | 99.26 (6) | Eu2—Si1—O2 | 116.7 (6) |
| Ca1xix—Ca2—Eu2xi | 148.63 (8) | Eu2—Si1—O3 | 52.4 (3) |
| Ca1xix—Ca2—Eu2xii | 97.57 (7) | Eu2—Si1—O3ii | 52.4 (3) |
| Ca1xix—Ca2—Eu2xiii | 146.90 (8) | Eu2iv—Si1—O1 | 55.6 (3) |
| Ca1xix—Ca2—Eu2viii | 58.69 (7) | Eu2iv—Si1—O2 | 168.6 (6) |
| Ca1xix—Ca2—Eu2xiv | 100.73 (8) | Eu2iv—Si1—O3 | 77.8 (3) |
| Ca1xix—Ca2—Si1 | 50.56 (12) | Eu2iv—Si1—O3ii | 77.8 (3) |
| Ca1xix—Ca2—Si1xi | 141.16 (16) | O1—Si1—O2 | 113.0 (7) |
| Ca1xix—Ca2—O2xv | 32.5 (3) | O1—Si1—O3 | 110.8 (5) |
| Ca1xix—Ca2—O3xiii | 116.00 (15) | O1—Si1—O3ii | 110.8 (5) |
| Ca1xix—Ca2—O3xvi | 69.84 (15) | O2—Si1—O3 | 108.7 (5) |
| Ca1xix—Ca2—O4 | 125.87 (9) | O2—Si1—O3ii | 108.7 (5) |
| Ca1xx—Ca2—Eu1xvii | 50.79 (11) | O3—Si1—O3ii | 104.5 (5) |
| Ca1xx—Ca2—Eu1xviii | 83.96 (5) | Ca1—O1—Ca1ii | 92.6 (4) |
| Ca1xx—Ca2—Eu1xix | 104.79 (6) | Ca1—O1—Eu1 | 0 |
| Ca1xx—Ca2—Eu1xx | 0 | Ca1—O1—Eu1ii | 92.6 (4) |
| Ca1xx—Ca2—Ca2iv | 150.53 (7) | Ca1—O1—Si1 | 128.2 (3) |
| Ca1xx—Ca2—Ca2xi | 103.10 (5) | Ca1ii—O1—Eu1 | 92.6 (4) |
| Ca1xx—Ca2—Ca2xii | 103.26 (10) | Ca1ii—O1—Eu1ii | 0 |
| Ca1xx—Ca2—Ca2xiii | 60.59 (8) | Ca1ii—O1—Si1 | 128.2 (3) |
| Ca1xx—Ca2—Ca2viii | 146.60 (9) | Eu1—O1—Eu1ii | 92.6 (4) |
| Ca1xx—Ca2—Ca2xiv | 96.58 (8) | Eu1—O1—Si1 | 128.2 (3) |
| Ca1xx—Ca2—Eu2 | 0 | Eu1ii—O1—Si1 | 128.2 (3) |
| Ca1xx—Ca2—Eu2iv | 150.53 (7) | Ca1xviii—O2—Ca1xix | 90.0 (5) |
| Ca1xx—Ca2—Eu2xi | 103.10 (5) | Ca1xviii—O2—Ca2v | 115.2 (3) |
| Ca1xx—Ca2—Eu2xii | 103.26 (10) | Ca1xviii—O2—Eu2v | 115.2 (3) |
| Ca1xx—Ca2—Eu2xiii | 60.59 (8) | Ca1xviii—O2—Si1 | 103.3 (4) |
| Ca1xx—Ca2—Eu2viii | 146.60 (9) | Ca1xix—O2—Ca2v | 115.2 (3) |
| Ca1xx—Ca2—Eu2xiv | 96.58 (8) | Ca1xix—O2—Eu2v | 115.2 (3) |
| Ca1xx—Ca2—Si1 | 134.45 (12) | Ca1xix—O2—Si1 | 103.3 (4) |
| Ca1xx—Ca2—Si1xi | 57.83 (17) | Ca2v—O2—Eu2v | 0 |
| Ca1xx—Ca2—O2xv | 75.2 (4) | Ca2v—O2—Si1 | 124.0 (8) |
| Ca1xx—Ca2—O3xiii | 43.3 (3) | Eu2v—O2—Si1 | 124.0 (8) |
| Ca1xx—Ca2—O3xvi | 94.1 (3) | Ca2viii—O3—Eu2viii | 0 |
| Ca1xx—Ca2—O4 | 129.31 (6) | Ca2viii—O3—Si1 | 141.2 (5) |
| Eu1xvii—Ca2—Eu1xviii | 104.79 (6) | Eu2viii—O3—Si1 | 141.2 (5) |
| Eu1xvii—Ca2—Eu1xix | 83.96 (5) | Ca2—O4—Ca2iv | 120.00 (9) |
| Eu1xvii—Ca2—Eu1xx | 50.79 (11) | Ca2—O4—Ca2xi | 120.00 (10) |
| Eu1xvii—Ca2—Ca2iv | 150.53 (7) | Ca2—O4—Eu2 | 0 |
| Eu1xvii—Ca2—Ca2xi | 103.10 (5) | Ca2—O4—Eu2iv | 120.00 (9) |
| Eu1xvii—Ca2—Ca2xii | 60.59 (8) | Ca2—O4—Eu2xi | 120.00 (10) |
| Eu1xvii—Ca2—Ca2xiii | 103.26 (10) | Ca2iv—O4—Ca2xi | 120.00 (10) |
| Eu1xvii—Ca2—Ca2viii | 96.58 (8) | Ca2iv—O4—Eu2 | 120.00 (9) |
| Eu1xvii—Ca2—Ca2xiv | 146.60 (9) | Ca2iv—O4—Eu2iv | 0 |
| Eu1xvii—Ca2—Eu2 | 0 | Ca2iv—O4—Eu2xi | 120.00 (10) |
| Eu1xvii—Ca2—Eu2iv | 150.53 (7) | Ca2xi—O4—Eu2 | 120.00 (10) |
| Eu1xvii—Ca2—Eu2xi | 103.10 (5) | Ca2xi—O4—Eu2iv | 120.00 (10) |
| Eu1xvii—Ca2—Eu2xii | 60.59 (8) | Ca2xi—O4—Eu2xi | 0 |
| Eu1xvii—Ca2—Eu2xiii | 103.26 (10) | Eu2—O4—Eu2iv | 120.00 (9) |
| Eu1xvii—Ca2—Eu2viii | 96.58 (8) | Eu2—O4—Eu2xi | 120.00 (10) |
| Eu1xvii—Ca2—Eu2xiv | 146.60 (9) | Eu2iv—O4—Eu2xi | 120.00 (10) |
| Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) y, −x+y, z−1/2; (xiii) y, −x+y, z+1/2; (xiv) x−y, x, z+1/2; (xv) −y+1, x−y, z; (xvi) y, −x+y, −z; (xvii) x, y−1, z; (xviii) −x+1, −y+1, z+1/2; (xix) −x+1, −y+1, −z; (xx) x, y−1, −z+1/2. |
Calcium ytterbium silicate oxyapatite (Ca-Yb) top
Crystal data top
| Ca2Yb8(SiO4)6O2 | Z = 1 |
| Mr = 2048.7 | Dx = 6.785 Mg m−3 |
| Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
| a = 9.29743 (7) Å | T = 295 K |
| c = 6.69748 (6) Å | white |
| V = 501.38 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top
| Bruker D8 Advance diffractometer | Data collection mode: reflection |
| Radiation source: sealed X-ray tube | Scan method: step |
| Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top
| Rp = 0.05 | 36 parameters |
| Rwp = 0.07 | Weighting scheme based on measured s.u.'s |
| Rexp = 0.02 | (Δ/σ)max = 0.039 |
| RBragg = 0.04 | Background function: Chebychev |
| 6994 data points | Preferred orientation correction: spherical harmonic |
| Profile function: pseudo-Voigt |
Special details top
Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Ca1 | 0.333333 | 0.666667 | −0.0006 (8) | 0.0127* | 0.448 |
| Yb1 | 0.333333 | 0.666667 | −0.0006 (8) | 0.0127* | 0.552 |
| Ca2 | 0.23445 (17) | −0.0010 (3) | 0.25 | 0.0127* | 0.035 |
| Yb2 | 0.23445 (17) | −0.0010 (3) | 0.25 | 0.0127* | 0.965 |
| Si1 | 0.3751 (9) | 0.3955 (9) | 0.25 | 0.0127* | |
| O1 | 0.1336 (14) | 0.5361 (13) | 0.25 | 0.0127* | |
| O2 | 0.8349 (13) | 0.5129 (13) | 0.25 | 0.0127* | |
| O3 | 0.2557 (8) | 0.3390 (7) | 0.0659 (10) | 0.0127* | |
| O4 | 0 | 0 | 0.25 | 0.0127* |
Geometric parameters (Å, º) top
| Ca1—Ca1i | 3.341 (8) | Yb1—Si1ix | 3.210 (7) |
| Ca1—Ca1ii | 3.357 (8) | Yb1—Si1x | 3.210 (11) |
| Ca1—Yb1 | 0 | Yb1—O2vi | 2.326 (7) |
| Ca1—Yb1i | 3.341 (8) | Yb1—O2vii | 2.326 (11) |
| Ca1—Yb1ii | 3.357 (8) | Yb1—O2viii | 2.326 (11) |
| Ca1—Ca2iii | 4.006 (3) | Ca2—Ca2iv | 3.784 (5) |
| Ca1—Ca2iv | 4.006 (3) | Ca2—Ca2xi | 3.784 (3) |
| Ca1—Ca2v | 4.006 (4) | Ca2—Ca2xii | 3.9982 (15) |
| Ca1—Ca2vi | 4.014 (3) | Ca2—Ca2xiii | 3.9982 (15) |
| Ca1—Ca2vii | 4.014 (4) | Ca2—Ca2viii | 3.998 (2) |
| Ca1—Ca2viii | 4.014 (3) | Ca2—Ca2xiv | 3.998 (2) |
| Ca1—Yb2iii | 4.006 (3) | Ca2—Yb2 | 0 |
| Ca1—Yb2iv | 4.006 (3) | Ca2—Yb2iv | 3.784 (5) |
| Ca1—Yb2v | 4.006 (4) | Ca2—Yb2xi | 3.784 (3) |
| Ca1—Yb2vi | 4.014 (3) | Ca2—Yb2xii | 3.9982 (15) |
| Ca1—Yb2vii | 4.014 (4) | Ca2—Yb2xiii | 3.9982 (15) |
| Ca1—Yb2viii | 4.014 (3) | Ca2—Yb2viii | 3.998 (2) |
| Ca1—Si1 | 3.210 (9) | Ca2—Yb2xiv | 3.998 (2) |
| Ca1—Si1ix | 3.210 (7) | Ca2—Si1 | 3.237 (8) |
| Ca1—Si1x | 3.210 (11) | Ca2—Si1xi | 3.023 (7) |
| Ca1—O1 | 2.342 (8) | Ca2—O1xi | 2.426 (19) |
| Ca1—O1ix | 2.342 (13) | Ca2—O3xi | 2.403 (7) |
| Ca1—O1x | 2.342 (10) | Ca2—O3xiii | 2.296 (7) |
| Ca1—O2vi | 2.326 (7) | Ca2—O3xv | 2.296 (7) |
| Ca1—O2vii | 2.326 (11) | Ca2—O3xvi | 2.403 (7) |
| Ca1—O2viii | 2.326 (11) | Ca2—O4 | 2.184 (2) |
| Yb1—Yb1i | 3.341 (8) | Yb2—Yb2iv | 3.784 (5) |
| Yb1—Yb1ii | 3.357 (8) | Yb2—Yb2xi | 3.784 (3) |
| Yb1—Ca2iii | 4.006 (3) | Yb2—Yb2xii | 3.9982 (15) |
| Yb1—Ca2iv | 4.006 (3) | Yb2—Yb2xiii | 3.9982 (15) |
| Yb1—Ca2v | 4.006 (4) | Yb2—Yb2viii | 3.998 (2) |
| Yb1—Ca2vi | 4.014 (3) | Yb2—Yb2xiv | 3.998 (2) |
| Yb1—Ca2vii | 4.014 (4) | Yb2—Si1 | 3.237 (8) |
| Yb1—Ca2viii | 4.014 (3) | Yb2—Si1xi | 3.023 (7) |
| Yb1—Yb2iii | 4.006 (3) | Yb2—O3xiii | 2.296 (7) |
| Yb1—Yb2iv | 4.006 (3) | Yb2—O3xv | 2.296 (7) |
| Yb1—Yb2v | 4.006 (4) | Yb2—O4 | 2.184 (2) |
| Yb1—Yb2vi | 4.014 (3) | Si1—O1ix | 1.630 (18) |
| Yb1—Yb2vii | 4.014 (4) | Si1—O2xvii | 1.50 (2) |
| Yb1—Yb2viii | 4.014 (3) | Si1—O3 | 1.564 (8) |
| Yb1—Si1 | 3.210 (9) | Si1—O3ii | 1.564 (8) |
| Ca1i—Ca1—Ca1ii | 180 | Yb1xviii—Ca2—O3xvi | 72.6 (2) |
| Ca1i—Ca1—Yb1 | 0 | Yb1xviii—Ca2—O4 | 128.14 (6) |
| Ca1i—Ca1—Yb1i | 0 | Yb1xix—Ca2—Yb1xx | 49.19 (10) |
| Ca1i—Ca1—Yb1ii | 180 | Yb1xix—Ca2—Yb1xxi | 84.03 (5) |
| Ca1i—Ca1—Ca2iii | 114.77 (7) | Yb1xix—Ca2—Ca2iv | 101.13 (6) |
| Ca1i—Ca1—Ca2iv | 114.77 (7) | Yb1xix—Ca2—Ca2xi | 150.00 (8) |
| Ca1i—Ca1—Ca2v | 114.77 (7) | Yb1xix—Ca2—Ca2xii | 146.51 (8) |
| Ca1i—Ca1—Ca2vi | 65.41 (7) | Yb1xix—Ca2—Ca2xiii | 97.87 (7) |
| Ca1i—Ca1—Ca2vii | 65.41 (7) | Yb1xix—Ca2—Ca2viii | 101.37 (8) |
| Ca1i—Ca1—Ca2viii | 65.41 (7) | Yb1xix—Ca2—Ca2xiv | 60.00 (7) |
| Ca1i—Ca1—Yb2iii | 114.77 (7) | Yb1xix—Ca2—Yb2 | 0 |
| Ca1i—Ca1—Yb2iv | 114.77 (7) | Yb1xix—Ca2—Yb2iv | 101.13 (6) |
| Ca1i—Ca1—Yb2v | 114.77 (7) | Yb1xix—Ca2—Yb2xi | 150.00 (8) |
| Ca1i—Ca1—Yb2vi | 65.41 (7) | Yb1xix—Ca2—Yb2xii | 146.51 (8) |
| Ca1i—Ca1—Yb2vii | 65.41 (7) | Yb1xix—Ca2—Yb2xiii | 97.87 (7) |
| Ca1i—Ca1—Yb2viii | 65.41 (7) | Yb1xix—Ca2—Yb2viii | 101.37 (8) |
| Ca1i—Ca1—Si1 | 121.53 (12) | Yb1xix—Ca2—Yb2xiv | 60.00 (7) |
| Ca1i—Ca1—Si1ix | 121.53 (11) | Yb1xix—Ca2—Si1 | 55.95 (14) |
| Ca1i—Ca1—Si1x | 121.53 (14) | Yb1xix—Ca2—Si1xi | 136.0 (2) |
| Ca1i—Ca1—O1 | 135.8 (2) | Yb1xix—Ca2—O1xi | 75.2 (2) |
| Ca1i—Ca1—O1ix | 135.8 (3) | Yb1xix—Ca2—O3xi | 147.4 (3) |
| Ca1i—Ca1—O1x | 135.8 (2) | Yb1xix—Ca2—O3xiii | 42.54 (16) |
| Ca1i—Ca1—O2vi | 44.11 (18) | Yb1xix—Ca2—O3xv | 91.72 (16) |
| Ca1i—Ca1—O2vii | 44.1 (3) | Yb1xix—Ca2—O3xvi | 114.5 (2) |
| Ca1i—Ca1—O2viii | 44.1 (3) | Yb1xix—Ca2—O4 | 127.70 (9) |
| Ca1ii—Ca1—Yb1 | 0 | Yb1xx—Ca2—Yb1xxi | 104.16 (6) |
| Ca1ii—Ca1—Yb1i | 180 | Yb1xx—Ca2—Ca2iv | 101.13 (6) |
| Ca1ii—Ca1—Yb1ii | 0 | Yb1xx—Ca2—Ca2xi | 150.00 (8) |
| Ca1ii—Ca1—Ca2iii | 65.23 (7) | Yb1xx—Ca2—Ca2xii | 97.87 (7) |
| Ca1ii—Ca1—Ca2iv | 65.23 (7) | Yb1xx—Ca2—Ca2xiii | 146.51 (8) |
| Ca1ii—Ca1—Ca2v | 65.23 (7) | Yb1xx—Ca2—Ca2viii | 60.00 (7) |
| Ca1ii—Ca1—Ca2vi | 114.59 (7) | Yb1xx—Ca2—Ca2xiv | 101.37 (8) |
| Ca1ii—Ca1—Ca2vii | 114.59 (7) | Yb1xx—Ca2—Yb2 | 0 |
| Ca1ii—Ca1—Ca2viii | 114.59 (7) | Yb1xx—Ca2—Yb2iv | 101.13 (6) |
| Ca1ii—Ca1—Yb2iii | 65.23 (7) | Yb1xx—Ca2—Yb2xi | 150.00 (8) |
| Ca1ii—Ca1—Yb2iv | 65.23 (7) | Yb1xx—Ca2—Yb2xii | 97.87 (7) |
| Ca1ii—Ca1—Yb2v | 65.23 (7) | Yb1xx—Ca2—Yb2xiii | 146.51 (8) |
| Ca1ii—Ca1—Yb2vi | 114.59 (7) | Yb1xx—Ca2—Yb2viii | 60.00 (7) |
| Ca1ii—Ca1—Yb2vii | 114.59 (7) | Yb1xx—Ca2—Yb2xiv | 101.37 (8) |
| Ca1ii—Ca1—Yb2viii | 114.59 (7) | Yb1xx—Ca2—Si1 | 55.95 (14) |
| Ca1ii—Ca1—Si1 | 58.47 (12) | Yb1xx—Ca2—Si1xi | 136.0 (2) |
| Ca1ii—Ca1—Si1ix | 58.47 (11) | Yb1xx—Ca2—O1xi | 75.2 (2) |
| Ca1ii—Ca1—Si1x | 58.47 (14) | Yb1xx—Ca2—O3xi | 114.5 (2) |
| Ca1ii—Ca1—O1 | 44.2 (2) | Yb1xx—Ca2—O3xiii | 91.72 (16) |
| Ca1ii—Ca1—O1ix | 44.2 (3) | Yb1xx—Ca2—O3xv | 42.54 (16) |
| Ca1ii—Ca1—O1x | 44.2 (2) | Yb1xx—Ca2—O3xvi | 147.4 (3) |
| Ca1ii—Ca1—O2vi | 135.89 (18) | Yb1xx—Ca2—O4 | 127.70 (9) |
| Ca1ii—Ca1—O2vii | 135.9 (3) | Yb1xxi—Ca2—Ca2iv | 150.19 (6) |
| Ca1ii—Ca1—O2viii | 135.9 (3) | Yb1xxi—Ca2—Ca2xi | 101.65 (6) |
| Yb1—Ca1—Yb1i | 0 | Yb1xxi—Ca2—Ca2xii | 101.81 (10) |
| Yb1—Ca1—Yb1ii | 0 | Yb1xxi—Ca2—Ca2xiii | 60.19 (8) |
| Yb1—Ca1—Ca2iii | 0 | Yb1xxi—Ca2—Ca2viii | 146.57 (9) |
| Yb1—Ca1—Ca2iv | 0 | Yb1xxi—Ca2—Ca2xiv | 97.63 (8) |
| Yb1—Ca1—Ca2v | 0 | Yb1xxi—Ca2—Yb2 | 0 |
| Yb1—Ca1—Ca2vi | 0 | Yb1xxi—Ca2—Yb2iv | 150.19 (6) |
| Yb1—Ca1—Ca2vii | 0 | Yb1xxi—Ca2—Yb2xi | 101.65 (6) |
| Yb1—Ca1—Ca2viii | 0 | Yb1xxi—Ca2—Yb2xii | 101.81 (10) |
| Yb1—Ca1—Yb2iii | 0 | Yb1xxi—Ca2—Yb2xiii | 60.19 (8) |
| Yb1—Ca1—Yb2iv | 0 | Yb1xxi—Ca2—Yb2viii | 146.57 (9) |
| Yb1—Ca1—Yb2v | 0 | Yb1xxi—Ca2—Yb2xiv | 97.63 (8) |
| Yb1—Ca1—Yb2vi | 0 | Yb1xxi—Ca2—Si1 | 139.51 (13) |
| Yb1—Ca1—Yb2vii | 0 | Yb1xxi—Ca2—Si1xi | 52.1 (2) |
| Yb1—Ca1—Yb2viii | 0 | Yb1xxi—Ca2—O1xi | 32.19 (17) |
| Yb1—Ca1—Si1 | 0 | Yb1xxi—Ca2—O3xi | 72.6 (2) |
| Yb1—Ca1—Si1ix | 0 | Yb1xxi—Ca2—O3xiii | 69.9 (3) |
| Yb1—Ca1—Si1x | 0 | Yb1xxi—Ca2—O3xv | 115.3 (3) |
| Yb1—Ca1—O1 | 0 | Yb1xxi—Ca2—O3xvi | 43.3 (3) |
| Yb1—Ca1—O1ix | 0 | Yb1xxi—Ca2—O4 | 128.14 (6) |
| Yb1—Ca1—O1x | 0 | Ca2iv—Ca2—Ca2xi | 60.00 (6) |
| Yb1—Ca1—O2vi | 0 | Ca2iv—Ca2—Ca2xii | 90.00 (7) |
| Yb1—Ca1—O2vii | 0 | Ca2iv—Ca2—Ca2xiii | 90.00 (7) |
| Yb1—Ca1—O2viii | 0 | Ca2iv—Ca2—Ca2viii | 61.76 (6) |
| Yb1i—Ca1—Yb1ii | 180 | Ca2iv—Ca2—Ca2xiv | 61.76 (6) |
| Yb1i—Ca1—Ca2iii | 114.77 (7) | Ca2iv—Ca2—Yb2 | 0 |
| Yb1i—Ca1—Ca2iv | 114.77 (7) | Ca2iv—Ca2—Yb2iv | 0 |
| Yb1i—Ca1—Ca2v | 114.77 (7) | Ca2iv—Ca2—Yb2xi | 60.00 (6) |
| Yb1i—Ca1—Ca2vi | 65.41 (7) | Ca2iv—Ca2—Yb2xii | 90.00 (7) |
| Yb1i—Ca1—Ca2vii | 65.41 (7) | Ca2iv—Ca2—Yb2xiii | 90.00 (7) |
| Yb1i—Ca1—Ca2viii | 65.41 (7) | Ca2iv—Ca2—Yb2viii | 61.76 (6) |
| Yb1i—Ca1—Yb2iii | 114.77 (7) | Ca2iv—Ca2—Yb2xiv | 61.76 (6) |
| Yb1i—Ca1—Yb2iv | 114.77 (7) | Ca2iv—Ca2—Si1 | 50.27 (16) |
| Yb1i—Ca1—Yb2v | 114.77 (7) | Ca2iv—Ca2—Si1xi | 115.4 (2) |
| Yb1i—Ca1—Yb2vi | 65.41 (7) | Ca2iv—Ca2—O1xi | 175.9 (3) |
| Yb1i—Ca1—Yb2vii | 65.41 (7) | Ca2iv—Ca2—O3xi | 110.5 (3) |
| Yb1i—Ca1—Yb2viii | 65.41 (7) | Ca2iv—Ca2—O3xiii | 94.0 (3) |
| Yb1i—Ca1—Si1 | 121.53 (12) | Ca2iv—Ca2—O3xv | 94.0 (3) |
| Yb1i—Ca1—Si1ix | 121.53 (11) | Ca2iv—Ca2—O3xvi | 110.5 (3) |
| Yb1i—Ca1—Si1x | 121.53 (14) | Ca2iv—Ca2—O4 | 30.00 (5) |
| Yb1i—Ca1—O1 | 135.8 (2) | Ca2xi—Ca2—Ca2xii | 61.76 (4) |
| Yb1i—Ca1—O1ix | 135.8 (3) | Ca2xi—Ca2—Ca2xiii | 61.76 (4) |
| Yb1i—Ca1—O1x | 135.8 (2) | Ca2xi—Ca2—Ca2viii | 90.00 (6) |
| Yb1i—Ca1—O2vi | 44.11 (18) | Ca2xi—Ca2—Ca2xiv | 90.00 (6) |
| Yb1i—Ca1—O2vii | 44.1 (3) | Ca2xi—Ca2—Yb2 | 0 |
| Yb1i—Ca1—O2viii | 44.1 (3) | Ca2xi—Ca2—Yb2iv | 60.00 (6) |
| Yb1ii—Ca1—Ca2iii | 65.23 (7) | Ca2xi—Ca2—Yb2xi | 0 |
| Yb1ii—Ca1—Ca2iv | 65.23 (7) | Ca2xi—Ca2—Yb2xii | 61.76 (4) |
| Yb1ii—Ca1—Ca2v | 65.23 (7) | Ca2xi—Ca2—Yb2xiii | 61.76 (4) |
| Yb1ii—Ca1—Ca2vi | 114.59 (7) | Ca2xi—Ca2—Yb2viii | 90.00 (6) |
| Yb1ii—Ca1—Ca2vii | 114.59 (7) | Ca2xi—Ca2—Yb2xiv | 90.00 (6) |
| Yb1ii—Ca1—Ca2viii | 114.59 (7) | Ca2xi—Ca2—Si1 | 110.27 (17) |
| Yb1ii—Ca1—Yb2iii | 65.23 (7) | Ca2xi—Ca2—Si1xi | 55.4 (2) |
| Yb1ii—Ca1—Yb2iv | 65.23 (7) | Ca2xi—Ca2—O1xi | 124.1 (3) |
| Yb1ii—Ca1—Yb2v | 65.23 (7) | Ca2xi—Ca2—O3xi | 59.7 (2) |
| Yb1ii—Ca1—Yb2vi | 114.59 (7) | Ca2xi—Ca2—O3xiii | 111.47 (15) |
| Yb1ii—Ca1—Yb2vii | 114.59 (7) | Ca2xi—Ca2—O3xv | 111.47 (15) |
| Yb1ii—Ca1—Yb2viii | 114.59 (7) | Ca2xi—Ca2—O3xvi | 59.7 (2) |
| Yb1ii—Ca1—Si1 | 58.47 (12) | Ca2xi—Ca2—O4 | 30.00 (4) |
| Yb1ii—Ca1—Si1ix | 58.47 (11) | Ca2xii—Ca2—Ca2xiii | 113.77 (5) |
| Yb1ii—Ca1—Si1x | 58.47 (14) | Ca2xii—Ca2—Ca2viii | 56.48 (4) |
| Yb1ii—Ca1—O1 | 44.2 (2) | Ca2xii—Ca2—Ca2xiv | 148.29 (9) |
| Yb1ii—Ca1—O1ix | 44.2 (3) | Ca2xii—Ca2—Yb2 | 0 |
| Yb1ii—Ca1—O1x | 44.2 (2) | Ca2xii—Ca2—Yb2iv | 90.00 (7) |
| Yb1ii—Ca1—O2vi | 135.89 (18) | Ca2xii—Ca2—Yb2xi | 61.76 (4) |
| Yb1ii—Ca1—O2vii | 135.9 (3) | Ca2xii—Ca2—Yb2xii | 0 |
| Yb1ii—Ca1—O2viii | 135.9 (3) | Ca2xii—Ca2—Yb2xiii | 113.77 (5) |
| Ca2iii—Ca1—Ca2iv | 103.69 (10) | Ca2xii—Ca2—Yb2viii | 56.48 (4) |
| Ca2iii—Ca1—Ca2v | 103.69 (9) | Ca2xii—Ca2—Yb2xiv | 148.29 (9) |
| Ca2iii—Ca1—Ca2vi | 95.97 (4) | Ca2xii—Ca2—Si1 | 114.84 (9) |
| Ca2iii—Ca1—Ca2vii | 59.81 (4) | Ca2xii—Ca2—Si1xi | 60.44 (8) |
| Ca2iii—Ca1—Ca2viii | 157.21 (5) | Ca2xii—Ca2—O1xi | 92.24 (16) |
| Ca2iii—Ca1—Yb2iii | 0 | Ca2xii—Ca2—O3xi | 30.91 (19) |
| Ca2iii—Ca1—Yb2iv | 103.69 (10) | Ca2xii—Ca2—O3xiii | 168.7 (2) |
| Ca2iii—Ca1—Yb2v | 103.69 (9) | Ca2xii—Ca2—O3xv | 55.76 (15) |
| Ca2iii—Ca1—Yb2vi | 95.97 (4) | Ca2xii—Ca2—O3xvi | 90.09 (17) |
| Ca2iii—Ca1—Yb2vii | 59.81 (4) | Ca2xii—Ca2—O4 | 74.15 (5) |
| Ca2iii—Ca1—Yb2viii | 157.21 (5) | Ca2xiii—Ca2—Ca2viii | 148.29 (9) |
| Ca2iii—Ca1—Si1 | 123.45 (18) | Ca2xiii—Ca2—Ca2xiv | 56.48 (4) |
| Ca2iii—Ca1—Si1ix | 57.4 (2) | Ca2xiii—Ca2—Yb2 | 0 |
| Ca2iii—Ca1—Si1x | 47.98 (14) | Ca2xiii—Ca2—Yb2iv | 90.00 (7) |
| Ca2iii—Ca1—O1 | 70.8 (3) | Ca2xiii—Ca2—Yb2xi | 61.76 (4) |
| Ca2iii—Ca1—O1ix | 105.2 (4) | Ca2xiii—Ca2—Yb2xii | 113.77 (5) |
| Ca2iii—Ca1—O1x | 33.5 (4) | Ca2xiii—Ca2—Yb2xiii | 0 |
| Ca2iii—Ca1—O2vi | 121.5 (4) | Ca2xiii—Ca2—Yb2viii | 148.29 (9) |
| Ca2iii—Ca1—O2vii | 134.6 (4) | Ca2xiii—Ca2—Yb2xiv | 56.48 (4) |
| Ca2iii—Ca1—O2viii | 71.2 (3) | Ca2xiii—Ca2—Si1 | 114.84 (9) |
| Ca2iv—Ca1—Ca2v | 103.69 (9) | Ca2xiii—Ca2—Si1xi | 60.44 (8) |
| Ca2iv—Ca1—Ca2vi | 157.21 (7) | Ca2xiii—Ca2—O1xi | 92.24 (16) |
| Ca2iv—Ca1—Ca2vii | 95.97 (5) | Ca2xiii—Ca2—O3xi | 90.09 (17) |
| Ca2iv—Ca1—Ca2viii | 59.81 (4) | Ca2xiii—Ca2—O3xiii | 55.76 (15) |
| Ca2iv—Ca1—Yb2iii | 103.69 (10) | Ca2xiii—Ca2—O3xv | 168.7 (2) |
| Ca2iv—Ca1—Yb2iv | 0 | Ca2xiii—Ca2—O3xvi | 30.91 (19) |
| Ca2iv—Ca1—Yb2v | 103.69 (9) | Ca2xiii—Ca2—O4 | 74.15 (5) |
| Ca2iv—Ca1—Yb2vi | 157.21 (7) | Ca2viii—Ca2—Ca2xiv | 113.77 (8) |
| Ca2iv—Ca1—Yb2vii | 95.97 (5) | Ca2viii—Ca2—Yb2 | 0 |
| Ca2iv—Ca1—Yb2viii | 59.81 (4) | Ca2viii—Ca2—Yb2iv | 61.76 (6) |
| Ca2iv—Ca1—Si1 | 47.98 (14) | Ca2viii—Ca2—Yb2xi | 90.00 (6) |
| Ca2iv—Ca1—Si1ix | 123.45 (17) | Ca2viii—Ca2—Yb2xii | 56.48 (4) |
| Ca2iv—Ca1—Si1x | 57.38 (16) | Ca2viii—Ca2—Yb2xiii | 148.29 (9) |
| Ca2iv—Ca1—O1 | 33.5 (3) | Ca2viii—Ca2—Yb2viii | 0 |
| Ca2iv—Ca1—O1ix | 70.8 (3) | Ca2viii—Ca2—Yb2xiv | 113.77 (8) |
| Ca2iv—Ca1—O1x | 105.2 (3) | Ca2viii—Ca2—Si1 | 59.17 (5) |
| Ca2iv—Ca1—O2vi | 71.17 (17) | Ca2viii—Ca2—Si1xi | 116.74 (9) |
| Ca2iv—Ca1—O2vii | 121.5 (4) | Ca2viii—Ca2—O1xi | 116.90 (10) |
| Ca2iv—Ca1—O2viii | 134.6 (3) | Ca2viii—Ca2—O3xi | 87.13 (18) |
| Ca2v—Ca1—Ca2vi | 59.81 (3) | Ca2viii—Ca2—O3xiii | 134.4 (2) |
| Ca2v—Ca1—Ca2vii | 157.21 (4) | Ca2viii—Ca2—O3xv | 32.5 (3) |
| Ca2v—Ca1—Ca2viii | 95.97 (5) | Ca2viii—Ca2—O3xvi | 144.04 (19) |
| Ca2v—Ca1—Yb2iii | 103.69 (9) | Ca2viii—Ca2—O4 | 74.15 (7) |
| Ca2v—Ca1—Yb2iv | 103.69 (9) | Ca2xiv—Ca2—Yb2 | 0 |
| Ca2v—Ca1—Yb2v | 0 | Ca2xiv—Ca2—Yb2iv | 61.76 (6) |
| Ca2v—Ca1—Yb2vi | 59.81 (3) | Ca2xiv—Ca2—Yb2xi | 90.00 (6) |
| Ca2v—Ca1—Yb2vii | 157.21 (4) | Ca2xiv—Ca2—Yb2xii | 148.29 (9) |
| Ca2v—Ca1—Yb2viii | 95.97 (5) | Ca2xiv—Ca2—Yb2xiii | 56.48 (4) |
| Ca2v—Ca1—Si1 | 57.38 (12) | Ca2xiv—Ca2—Yb2viii | 113.77 (8) |
| Ca2v—Ca1—Si1ix | 48.0 (2) | Ca2xiv—Ca2—Yb2xiv | 0 |
| Ca2v—Ca1—Si1x | 123.45 (19) | Ca2xiv—Ca2—Si1 | 59.17 (5) |
| Ca2v—Ca1—O1 | 105.2 (3) | Ca2xiv—Ca2—Si1xi | 116.74 (9) |
| Ca2v—Ca1—O1ix | 33.5 (2) | Ca2xiv—Ca2—O1xi | 116.90 (10) |
| Ca2v—Ca1—O1x | 70.8 (5) | Ca2xiv—Ca2—O3xi | 144.04 (19) |
| Ca2v—Ca1—O2vi | 134.6 (4) | Ca2xiv—Ca2—O3xiii | 32.5 (3) |
| Ca2v—Ca1—O2vii | 71.2 (2) | Ca2xiv—Ca2—O3xv | 134.4 (2) |
| Ca2v—Ca1—O2viii | 121.5 (3) | Ca2xiv—Ca2—O3xvi | 87.13 (18) |
| Ca2vi—Ca1—Ca2vii | 103.90 (9) | Ca2xiv—Ca2—O4 | 74.15 (7) |
| Ca2vi—Ca1—Ca2viii | 103.90 (9) | Yb2—Ca2—Yb2iv | 0 |
| Ca2vi—Ca1—Yb2iii | 95.97 (4) | Yb2—Ca2—Yb2xi | 0 |
| Ca2vi—Ca1—Yb2iv | 157.21 (7) | Yb2—Ca2—Yb2xii | 0 |
| Ca2vi—Ca1—Yb2v | 59.81 (3) | Yb2—Ca2—Yb2xiii | 0 |
| Ca2vi—Ca1—Yb2vi | 0 | Yb2—Ca2—Yb2viii | 0 |
| Ca2vi—Ca1—Yb2vii | 103.90 (9) | Yb2—Ca2—Yb2xiv | 0 |
| Ca2vi—Ca1—Yb2viii | 103.90 (9) | Yb2—Ca2—Si1 | 0 |
| Ca2vi—Ca1—Si1 | 111.00 (13) | Yb2—Ca2—Si1xi | 0 |
| Ca2vi—Ca1—Si1ix | 59.15 (8) | Yb2—Ca2—O1xi | 0 |
| Ca2vi—Ca1—Si1x | 143.83 (15) | Yb2—Ca2—O3xi | 0 |
| Ca2vi—Ca1—O1 | 158.0 (2) | Yb2—Ca2—O3xiii | 0 |
| Ca2vi—Ca1—O1ix | 93.2 (2) | Yb2—Ca2—O3xv | 0 |
| Ca2vi—Ca1—O1x | 85.0 (3) | Yb2—Ca2—O3xvi | 0 |
| Ca2vi—Ca1—O2vi | 108.1 (2) | Yb2—Ca2—O4 | 0 |
| Ca2vi—Ca1—O2vii | 41.3 (3) | Yb2iv—Ca2—Yb2xi | 60.00 (6) |
| Ca2vi—Ca1—O2viii | 62.9 (4) | Yb2iv—Ca2—Yb2xii | 90.00 (7) |
| Ca2vii—Ca1—Ca2viii | 103.90 (10) | Yb2iv—Ca2—Yb2xiii | 90.00 (7) |
| Ca2vii—Ca1—Yb2iii | 59.81 (4) | Yb2iv—Ca2—Yb2viii | 61.76 (6) |
| Ca2vii—Ca1—Yb2iv | 95.97 (5) | Yb2iv—Ca2—Yb2xiv | 61.76 (6) |
| Ca2vii—Ca1—Yb2v | 157.21 (4) | Yb2iv—Ca2—Si1 | 50.27 (16) |
| Ca2vii—Ca1—Yb2vi | 103.90 (9) | Yb2iv—Ca2—Si1xi | 115.4 (2) |
| Ca2vii—Ca1—Yb2vii | 0 | Yb2iv—Ca2—O1xi | 175.9 (3) |
| Ca2vii—Ca1—Yb2viii | 103.90 (10) | Yb2iv—Ca2—O3xi | 110.5 (3) |
| Ca2vii—Ca1—Si1 | 143.83 (13) | Yb2iv—Ca2—O3xiii | 94.0 (3) |
| Ca2vii—Ca1—Si1ix | 111.0 (2) | Yb2iv—Ca2—O3xv | 94.0 (3) |
| Ca2vii—Ca1—Si1x | 59.15 (14) | Yb2iv—Ca2—O3xvi | 110.5 (3) |
| Ca2vii—Ca1—O1 | 85.0 (3) | Yb2iv—Ca2—O4 | 30.00 (5) |
| Ca2vii—Ca1—O1ix | 158.0 (3) | Yb2xi—Ca2—Yb2xii | 61.76 (4) |
| Ca2vii—Ca1—O1x | 93.2 (4) | Yb2xi—Ca2—Yb2xiii | 61.76 (4) |
| Ca2vii—Ca1—O2vi | 62.9 (4) | Yb2xi—Ca2—Yb2viii | 90.00 (6) |
| Ca2vii—Ca1—O2vii | 108.1 (3) | Yb2xi—Ca2—Yb2xiv | 90.00 (6) |
| Ca2vii—Ca1—O2viii | 41.3 (4) | Yb2xi—Ca2—Si1 | 110.27 (17) |
| Ca2viii—Ca1—Yb2iii | 157.21 (5) | Yb2xi—Ca2—Si1xi | 55.4 (2) |
| Ca2viii—Ca1—Yb2iv | 59.81 (4) | Yb2xi—Ca2—O1xi | 124.1 (3) |
| Ca2viii—Ca1—Yb2v | 95.97 (5) | Yb2xi—Ca2—O3xi | 59.7 (2) |
| Ca2viii—Ca1—Yb2vi | 103.90 (9) | Yb2xi—Ca2—O3xiii | 111.47 (15) |
| Ca2viii—Ca1—Yb2vii | 103.90 (10) | Yb2xi—Ca2—O3xv | 111.47 (15) |
| Ca2viii—Ca1—Yb2viii | 0 | Yb2xi—Ca2—O3xvi | 59.7 (2) |
| Ca2viii—Ca1—Si1 | 59.15 (8) | Yb2xi—Ca2—O4 | 30.00 (4) |
| Ca2viii—Ca1—Si1ix | 143.8 (2) | Yb2xii—Ca2—Yb2xiii | 113.77 (5) |
| Ca2viii—Ca1—Si1x | 111.00 (13) | Yb2xii—Ca2—Yb2viii | 56.48 (4) |
| Ca2viii—Ca1—O1 | 93.2 (3) | Yb2xii—Ca2—Yb2xiv | 148.29 (9) |
| Ca2viii—Ca1—O1ix | 85.0 (4) | Yb2xii—Ca2—Si1 | 114.84 (9) |
| Ca2viii—Ca1—O1x | 158.0 (3) | Yb2xii—Ca2—Si1xi | 60.44 (8) |
| Ca2viii—Ca1—O2vi | 41.3 (4) | Yb2xii—Ca2—O1xi | 92.24 (16) |
| Ca2viii—Ca1—O2vii | 62.9 (4) | Yb2xii—Ca2—O3xi | 30.91 (19) |
| Ca2viii—Ca1—O2viii | 108.1 (3) | Yb2xii—Ca2—O3xiii | 168.7 (2) |
| Yb2iii—Ca1—Yb2iv | 103.69 (10) | Yb2xii—Ca2—O3xv | 55.76 (15) |
| Yb2iii—Ca1—Yb2v | 103.69 (9) | Yb2xii—Ca2—O3xvi | 90.09 (17) |
| Yb2iii—Ca1—Yb2vi | 95.97 (4) | Yb2xii—Ca2—O4 | 74.15 (5) |
| Yb2iii—Ca1—Yb2vii | 59.81 (4) | Yb2xiii—Ca2—Yb2viii | 148.29 (9) |
| Yb2iii—Ca1—Yb2viii | 157.21 (5) | Yb2xiii—Ca2—Yb2xiv | 56.48 (4) |
| Yb2iii—Ca1—Si1 | 123.45 (18) | Yb2xiii—Ca2—Si1 | 114.84 (9) |
| Yb2iii—Ca1—Si1ix | 57.4 (2) | Yb2xiii—Ca2—Si1xi | 60.44 (8) |
| Yb2iii—Ca1—Si1x | 47.98 (14) | Yb2xiii—Ca2—O1xi | 92.24 (16) |
| Yb2iii—Ca1—O1 | 70.8 (3) | Yb2xiii—Ca2—O3xi | 90.09 (17) |
| Yb2iii—Ca1—O1ix | 105.2 (4) | Yb2xiii—Ca2—O3xiii | 55.76 (15) |
| Yb2iii—Ca1—O1x | 33.5 (4) | Yb2xiii—Ca2—O3xv | 168.7 (2) |
| Yb2iii—Ca1—O2vi | 121.5 (4) | Yb2xiii—Ca2—O3xvi | 30.91 (19) |
| Yb2iii—Ca1—O2vii | 134.6 (4) | Yb2xiii—Ca2—O4 | 74.15 (5) |
| Yb2iii—Ca1—O2viii | 71.2 (3) | Yb2viii—Ca2—Yb2xiv | 113.77 (8) |
| Yb2iv—Ca1—Yb2v | 103.69 (9) | Yb2viii—Ca2—Si1 | 59.17 (5) |
| Yb2iv—Ca1—Yb2vi | 157.21 (7) | Yb2viii—Ca2—Si1xi | 116.74 (9) |
| Yb2iv—Ca1—Yb2vii | 95.97 (5) | Yb2viii—Ca2—O1xi | 116.90 (10) |
| Yb2iv—Ca1—Yb2viii | 59.81 (4) | Yb2viii—Ca2—O3xi | 87.13 (18) |
| Yb2iv—Ca1—Si1 | 47.98 (14) | Yb2viii—Ca2—O3xiii | 134.4 (2) |
| Yb2iv—Ca1—Si1ix | 123.45 (17) | Yb2viii—Ca2—O3xv | 32.5 (3) |
| Yb2iv—Ca1—Si1x | 57.38 (16) | Yb2viii—Ca2—O3xvi | 144.04 (19) |
| Yb2iv—Ca1—O1 | 33.5 (3) | Yb2viii—Ca2—O4 | 74.15 (7) |
| Yb2iv—Ca1—O1ix | 70.8 (3) | Yb2xiv—Ca2—Si1 | 59.17 (5) |
| Yb2iv—Ca1—O1x | 105.2 (3) | Yb2xiv—Ca2—Si1xi | 116.74 (9) |
| Yb2iv—Ca1—O2vi | 71.17 (17) | Yb2xiv—Ca2—O1xi | 116.90 (10) |
| Yb2iv—Ca1—O2vii | 121.5 (4) | Yb2xiv—Ca2—O3xi | 144.04 (19) |
| Yb2iv—Ca1—O2viii | 134.6 (3) | Yb2xiv—Ca2—O3xiii | 32.5 (3) |
| Yb2v—Ca1—Yb2vi | 59.81 (3) | Yb2xiv—Ca2—O3xv | 134.4 (2) |
| Yb2v—Ca1—Yb2vii | 157.21 (4) | Yb2xiv—Ca2—O3xvi | 87.13 (18) |
| Yb2v—Ca1—Yb2viii | 95.97 (5) | Yb2xiv—Ca2—O4 | 74.15 (7) |
| Yb2v—Ca1—Si1 | 57.38 (12) | Si1—Ca2—Si1xi | 165.7 (3) |
| Yb2v—Ca1—Si1ix | 48.0 (2) | Si1—Ca2—O1xi | 125.6 (3) |
| Yb2v—Ca1—Si1x | 123.45 (19) | Si1—Ca2—O3xi | 145.7 (2) |
| Yb2v—Ca1—O1 | 105.2 (3) | Si1—Ca2—O3xiii | 75.5 (2) |
| Yb2v—Ca1—O1ix | 33.5 (2) | Si1—Ca2—O3xv | 75.5 (2) |
| Yb2v—Ca1—O1x | 70.8 (5) | Si1—Ca2—O3xvi | 145.7 (2) |
| Yb2v—Ca1—O2vi | 134.6 (4) | Si1—Ca2—O4 | 80.27 (18) |
| Yb2v—Ca1—O2vii | 71.2 (2) | Si1xi—Ca2—O1xi | 68.7 (4) |
| Yb2v—Ca1—O2viii | 121.5 (3) | Si1xi—Ca2—O3xi | 30.90 (16) |
| Yb2vi—Ca1—Yb2vii | 103.90 (9) | Si1xi—Ca2—O3xiii | 108.4 (2) |
| Yb2vi—Ca1—Yb2viii | 103.90 (9) | Si1xi—Ca2—O3xv | 108.4 (2) |
| Yb2vi—Ca1—Si1 | 111.00 (13) | Si1xi—Ca2—O3xvi | 30.90 (16) |
| Yb2vi—Ca1—Si1ix | 59.15 (8) | Si1xi—Ca2—O4 | 85.4 (2) |
| Yb2vi—Ca1—Si1x | 143.83 (15) | O1xi—Ca2—O3xi | 73.0 (3) |
| Yb2vi—Ca1—O1 | 158.0 (2) | O1xi—Ca2—O3xiii | 84.4 (3) |
| Yb2vi—Ca1—O1ix | 93.2 (2) | O1xi—Ca2—O3xv | 84.4 (3) |
| Yb2vi—Ca1—O1x | 85.0 (3) | O1xi—Ca2—O3xvi | 73.0 (3) |
| Yb2vi—Ca1—O2vi | 108.1 (2) | O1xi—Ca2—O4 | 154.1 (3) |
| Yb2vi—Ca1—O2vii | 41.3 (3) | O3xi—Ca2—O3xiii | 138.4 (3) |
| Yb2vi—Ca1—O2viii | 62.9 (4) | O3xi—Ca2—O3xv | 78.6 (2) |
| Yb2vii—Ca1—Yb2viii | 103.90 (10) | O3xi—Ca2—O3xvi | 61.7 (2) |
| Yb2vii—Ca1—Si1 | 143.83 (13) | O3xi—Ca2—O4 | 84.9 (3) |
| Yb2vii—Ca1—Si1ix | 111.0 (2) | O3xiii—Ca2—O3xv | 134.2 (2) |
| Yb2vii—Ca1—Si1x | 59.15 (14) | O3xiii—Ca2—O3xvi | 78.6 (2) |
| Yb2vii—Ca1—O1 | 85.0 (3) | O3xiii—Ca2—O4 | 104.6 (2) |
| Yb2vii—Ca1—O1ix | 158.0 (3) | O3xv—Ca2—O3xvi | 138.4 (3) |
| Yb2vii—Ca1—O1x | 93.2 (4) | O3xv—Ca2—O4 | 104.6 (2) |
| Yb2vii—Ca1—O2vi | 62.9 (4) | O3xvi—Ca2—O4 | 84.9 (3) |
| Yb2vii—Ca1—O2vii | 108.1 (3) | Ca1xviii—Yb2—Ca1xix | 104.16 (6) |
| Yb2vii—Ca1—O2viii | 41.3 (4) | Ca1xviii—Yb2—Ca1xx | 84.03 (5) |
| Yb2viii—Ca1—Si1 | 59.15 (8) | Ca1xviii—Yb2—Ca1xxi | 49.54 (10) |
| Yb2viii—Ca1—Si1ix | 143.8 (2) | Ca1xviii—Yb2—Yb1xviii | 0 |
| Yb2viii—Ca1—Si1x | 111.00 (13) | Ca1xviii—Yb2—Yb1xix | 104.16 (6) |
| Yb2viii—Ca1—O1 | 93.2 (3) | Ca1xviii—Yb2—Yb1xx | 84.03 (5) |
| Yb2viii—Ca1—O1ix | 85.0 (4) | Ca1xviii—Yb2—Yb1xxi | 49.54 (10) |
| Yb2viii—Ca1—O1x | 158.0 (3) | Ca1xviii—Yb2—Ca2 | 0 |
| Yb2viii—Ca1—O2vi | 41.3 (4) | Ca1xviii—Yb2—Ca2iv | 150.19 (6) |
| Yb2viii—Ca1—O2vii | 62.9 (4) | Ca1xviii—Yb2—Ca2xi | 101.65 (6) |
| Yb2viii—Ca1—O2viii | 108.1 (3) | Ca1xviii—Yb2—Ca2xii | 60.19 (8) |
| Si1—Ca1—Si1ix | 95.2 (2) | Ca1xviii—Yb2—Ca2xiii | 101.81 (10) |
| Si1—Ca1—Si1x | 95.2 (2) | Ca1xviii—Yb2—Ca2viii | 97.63 (8) |
| Si1—Ca1—O1 | 66.1 (4) | Ca1xviii—Yb2—Ca2xiv | 146.57 (9) |
| Si1—Ca1—O1ix | 29.2 (4) | Ca1xviii—Yb2—Yb2iv | 150.19 (6) |
| Si1—Ca1—O1x | 98.9 (4) | Ca1xviii—Yb2—Yb2xi | 101.65 (6) |
| Si1—Ca1—O2vi | 96.5 (3) | Ca1xviii—Yb2—Yb2xii | 60.19 (8) |
| Si1—Ca1—O2vii | 92.6 (4) | Ca1xviii—Yb2—Yb2xiii | 101.81 (10) |
| Si1—Ca1—O2viii | 165.3 (4) | Ca1xviii—Yb2—Yb2viii | 97.63 (8) |
| Si1ix—Ca1—Si1x | 95.2 (2) | Ca1xviii—Yb2—Yb2xiv | 146.57 (9) |
| Si1ix—Ca1—O1 | 98.9 (2) | Ca1xviii—Yb2—Si1 | 139.51 (13) |
| Si1ix—Ca1—O1ix | 66.1 (4) | Ca1xviii—Yb2—Si1xi | 52.1 (2) |
| Si1ix—Ca1—O1x | 29.2 (4) | Ca1xviii—Yb2—O3xiii | 115.3 (3) |
| Si1ix—Ca1—O2vi | 165.3 (3) | Ca1xviii—Yb2—O3xv | 69.9 (3) |
| Si1ix—Ca1—O2vii | 96.5 (3) | Ca1xviii—Yb2—O4 | 128.14 (6) |
| Si1ix—Ca1—O2viii | 92.6 (3) | Ca1xix—Yb2—Ca1xx | 49.19 (10) |
| Si1x—Ca1—O1 | 29.2 (4) | Ca1xix—Yb2—Ca1xxi | 84.03 (5) |
| Si1x—Ca1—O1ix | 98.9 (3) | Ca1xix—Yb2—Yb1xviii | 104.16 (6) |
| Si1x—Ca1—O1x | 66.1 (4) | Ca1xix—Yb2—Yb1xix | 0 |
| Si1x—Ca1—O2vi | 92.6 (3) | Ca1xix—Yb2—Yb1xx | 49.19 (10) |
| Si1x—Ca1—O2vii | 165.3 (3) | Ca1xix—Yb2—Yb1xxi | 84.03 (5) |
| Si1x—Ca1—O2viii | 96.5 (4) | Ca1xix—Yb2—Ca2 | 0 |
| O1—Ca1—O1ix | 74.3 (4) | Ca1xix—Yb2—Ca2iv | 101.13 (6) |
| O1—Ca1—O1x | 74.3 (4) | Ca1xix—Yb2—Ca2xi | 150.00 (8) |
| O1—Ca1—O2vi | 93.9 (2) | Ca1xix—Yb2—Ca2xii | 146.51 (8) |
| O1—Ca1—O2vii | 154.6 (5) | Ca1xix—Yb2—Ca2xiii | 97.87 (7) |
| O1—Ca1—O2viii | 124.9 (5) | Ca1xix—Yb2—Ca2viii | 101.37 (8) |
| O1ix—Ca1—O1x | 74.3 (6) | Ca1xix—Yb2—Ca2xiv | 60.00 (7) |
| O1ix—Ca1—O2vi | 124.9 (5) | Ca1xix—Yb2—Yb2iv | 101.13 (6) |
| O1ix—Ca1—O2vii | 93.9 (4) | Ca1xix—Yb2—Yb2xi | 150.00 (8) |
| O1ix—Ca1—O2viii | 154.6 (4) | Ca1xix—Yb2—Yb2xii | 146.51 (8) |
| O1x—Ca1—O2vi | 154.6 (6) | Ca1xix—Yb2—Yb2xiii | 97.87 (7) |
| O1x—Ca1—O2vii | 124.9 (4) | Ca1xix—Yb2—Yb2viii | 101.37 (8) |
| O1x—Ca1—O2viii | 93.9 (4) | Ca1xix—Yb2—Yb2xiv | 60.00 (7) |
| O2vi—Ca1—O2vii | 74.1 (4) | Ca1xix—Yb2—Si1 | 55.95 (14) |
| O2vi—Ca1—O2viii | 74.1 (4) | Ca1xix—Yb2—Si1xi | 136.0 (2) |
| O2vii—Ca1—O2viii | 74.1 (6) | Ca1xix—Yb2—O3xiii | 42.54 (16) |
| Ca1—Yb1—Ca1i | 0 | Ca1xix—Yb2—O3xv | 91.72 (16) |
| Ca1—Yb1—Ca1ii | 0 | Ca1xix—Yb2—O4 | 127.70 (9) |
| Ca1—Yb1—Yb1i | 0 | Ca1xx—Yb2—Ca1xxi | 104.16 (6) |
| Ca1—Yb1—Yb1ii | 0 | Ca1xx—Yb2—Yb1xviii | 84.03 (5) |
| Ca1—Yb1—Ca2iii | 0 | Ca1xx—Yb2—Yb1xix | 49.19 (10) |
| Ca1—Yb1—Ca2iv | 0 | Ca1xx—Yb2—Yb1xx | 0 |
| Ca1—Yb1—Ca2v | 0 | Ca1xx—Yb2—Yb1xxi | 104.16 (6) |
| Ca1—Yb1—Ca2vi | 0 | Ca1xx—Yb2—Ca2 | 0 |
| Ca1—Yb1—Ca2vii | 0 | Ca1xx—Yb2—Ca2iv | 101.13 (6) |
| Ca1—Yb1—Ca2viii | 0 | Ca1xx—Yb2—Ca2xi | 150.00 (8) |
| Ca1—Yb1—Yb2iii | 0 | Ca1xx—Yb2—Ca2xii | 97.87 (7) |
| Ca1—Yb1—Yb2iv | 0 | Ca1xx—Yb2—Ca2xiii | 146.51 (8) |
| Ca1—Yb1—Yb2v | 0 | Ca1xx—Yb2—Ca2viii | 60.00 (7) |
| Ca1—Yb1—Yb2vi | 0 | Ca1xx—Yb2—Ca2xiv | 101.37 (8) |
| Ca1—Yb1—Yb2vii | 0 | Ca1xx—Yb2—Yb2iv | 101.13 (6) |
| Ca1—Yb1—Yb2viii | 0 | Ca1xx—Yb2—Yb2xi | 150.00 (8) |
| Ca1—Yb1—Si1 | 0 | Ca1xx—Yb2—Yb2xii | 97.87 (7) |
| Ca1—Yb1—Si1ix | 0 | Ca1xx—Yb2—Yb2xiii | 146.51 (8) |
| Ca1—Yb1—Si1x | 0 | Ca1xx—Yb2—Yb2viii | 60.00 (7) |
| Ca1—Yb1—O2vi | 0 | Ca1xx—Yb2—Yb2xiv | 101.37 (8) |
| Ca1—Yb1—O2vii | 0 | Ca1xx—Yb2—Si1 | 55.95 (14) |
| Ca1—Yb1—O2viii | 0 | Ca1xx—Yb2—Si1xi | 136.0 (2) |
| Ca1i—Yb1—Ca1ii | 180 | Ca1xx—Yb2—O3xiii | 91.72 (16) |
| Ca1i—Yb1—Yb1i | 0 | Ca1xx—Yb2—O3xv | 42.54 (16) |
| Ca1i—Yb1—Yb1ii | 180 | Ca1xx—Yb2—O4 | 127.70 (9) |
| Ca1i—Yb1—Ca2iii | 114.77 (7) | Ca1xxi—Yb2—Yb1xviii | 49.54 (10) |
| Ca1i—Yb1—Ca2iv | 114.77 (7) | Ca1xxi—Yb2—Yb1xix | 84.03 (5) |
| Ca1i—Yb1—Ca2v | 114.77 (7) | Ca1xxi—Yb2—Yb1xx | 104.16 (6) |
| Ca1i—Yb1—Ca2vi | 65.41 (7) | Ca1xxi—Yb2—Yb1xxi | 0 |
| Ca1i—Yb1—Ca2vii | 65.41 (7) | Ca1xxi—Yb2—Ca2 | 0 |
| Ca1i—Yb1—Ca2viii | 65.41 (7) | Ca1xxi—Yb2—Ca2iv | 150.19 (6) |
| Ca1i—Yb1—Yb2iii | 114.77 (7) | Ca1xxi—Yb2—Ca2xi | 101.65 (6) |
| Ca1i—Yb1—Yb2iv | 114.77 (7) | Ca1xxi—Yb2—Ca2xii | 101.81 (10) |
| Ca1i—Yb1—Yb2v | 114.77 (7) | Ca1xxi—Yb2—Ca2xiii | 60.19 (8) |
| Ca1i—Yb1—Yb2vi | 65.41 (7) | Ca1xxi—Yb2—Ca2viii | 146.57 (9) |
| Ca1i—Yb1—Yb2vii | 65.41 (7) | Ca1xxi—Yb2—Ca2xiv | 97.63 (8) |
| Ca1i—Yb1—Yb2viii | 65.41 (7) | Ca1xxi—Yb2—Yb2iv | 150.19 (6) |
| Ca1i—Yb1—Si1 | 121.53 (12) | Ca1xxi—Yb2—Yb2xi | 101.65 (6) |
| Ca1i—Yb1—Si1ix | 121.53 (11) | Ca1xxi—Yb2—Yb2xii | 101.81 (10) |
| Ca1i—Yb1—Si1x | 121.53 (14) | Ca1xxi—Yb2—Yb2xiii | 60.19 (8) |
| Ca1i—Yb1—O2vi | 44.11 (18) | Ca1xxi—Yb2—Yb2viii | 146.57 (9) |
| Ca1i—Yb1—O2vii | 44.1 (3) | Ca1xxi—Yb2—Yb2xiv | 97.63 (8) |
| Ca1i—Yb1—O2viii | 44.1 (3) | Ca1xxi—Yb2—Si1 | 139.51 (13) |
| Ca1ii—Yb1—Yb1i | 180 | Ca1xxi—Yb2—Si1xi | 52.1 (2) |
| Ca1ii—Yb1—Yb1ii | 0 | Ca1xxi—Yb2—O3xiii | 69.9 (3) |
| Ca1ii—Yb1—Ca2iii | 65.23 (7) | Ca1xxi—Yb2—O3xv | 115.3 (3) |
| Ca1ii—Yb1—Ca2iv | 65.23 (7) | Ca1xxi—Yb2—O4 | 128.14 (6) |
| Ca1ii—Yb1—Ca2v | 65.23 (7) | Yb1xviii—Yb2—Yb1xix | 104.16 (6) |
| Ca1ii—Yb1—Ca2vi | 114.59 (7) | Yb1xviii—Yb2—Yb1xx | 84.03 (5) |
| Ca1ii—Yb1—Ca2vii | 114.59 (7) | Yb1xviii—Yb2—Yb1xxi | 49.54 (10) |
| Ca1ii—Yb1—Ca2viii | 114.59 (7) | Yb1xviii—Yb2—Ca2 | 0 |
| Ca1ii—Yb1—Yb2iii | 65.23 (7) | Yb1xviii—Yb2—Ca2iv | 150.19 (6) |
| Ca1ii—Yb1—Yb2iv | 65.23 (7) | Yb1xviii—Yb2—Ca2xi | 101.65 (6) |
| Ca1ii—Yb1—Yb2v | 65.23 (7) | Yb1xviii—Yb2—Ca2xii | 60.19 (8) |
| Ca1ii—Yb1—Yb2vi | 114.59 (7) | Yb1xviii—Yb2—Ca2xiii | 101.81 (10) |
| Ca1ii—Yb1—Yb2vii | 114.59 (7) | Yb1xviii—Yb2—Ca2viii | 97.63 (8) |
| Ca1ii—Yb1—Yb2viii | 114.59 (7) | Yb1xviii—Yb2—Ca2xiv | 146.57 (9) |
| Ca1ii—Yb1—Si1 | 58.47 (12) | Yb1xviii—Yb2—Yb2iv | 150.19 (6) |
| Ca1ii—Yb1—Si1ix | 58.47 (11) | Yb1xviii—Yb2—Yb2xi | 101.65 (6) |
| Ca1ii—Yb1—Si1x | 58.47 (14) | Yb1xviii—Yb2—Yb2xii | 60.19 (8) |
| Ca1ii—Yb1—O2vi | 135.89 (18) | Yb1xviii—Yb2—Yb2xiii | 101.81 (10) |
| Ca1ii—Yb1—O2vii | 135.9 (3) | Yb1xviii—Yb2—Yb2viii | 97.63 (8) |
| Ca1ii—Yb1—O2viii | 135.9 (3) | Yb1xviii—Yb2—Yb2xiv | 146.57 (9) |
| Yb1i—Yb1—Yb1ii | 180 | Yb1xviii—Yb2—Si1 | 139.51 (13) |
| Yb1i—Yb1—Ca2iii | 114.77 (7) | Yb1xviii—Yb2—Si1xi | 52.1 (2) |
| Yb1i—Yb1—Ca2iv | 114.77 (7) | Yb1xviii—Yb2—O3xiii | 115.3 (3) |
| Yb1i—Yb1—Ca2v | 114.77 (7) | Yb1xviii—Yb2—O3xv | 69.9 (3) |
| Yb1i—Yb1—Ca2vi | 65.41 (7) | Yb1xviii—Yb2—O4 | 128.14 (6) |
| Yb1i—Yb1—Ca2vii | 65.41 (7) | Yb1xix—Yb2—Yb1xx | 49.19 (10) |
| Yb1i—Yb1—Ca2viii | 65.41 (7) | Yb1xix—Yb2—Yb1xxi | 84.03 (5) |
| Yb1i—Yb1—Yb2iii | 114.77 (7) | Yb1xix—Yb2—Ca2 | 0 |
| Yb1i—Yb1—Yb2iv | 114.77 (7) | Yb1xix—Yb2—Ca2iv | 101.13 (6) |
| Yb1i—Yb1—Yb2v | 114.77 (7) | Yb1xix—Yb2—Ca2xi | 150.00 (8) |
| Yb1i—Yb1—Yb2vi | 65.41 (7) | Yb1xix—Yb2—Ca2xii | 146.51 (8) |
| Yb1i—Yb1—Yb2vii | 65.41 (7) | Yb1xix—Yb2—Ca2xiii | 97.87 (7) |
| Yb1i—Yb1—Yb2viii | 65.41 (7) | Yb1xix—Yb2—Ca2viii | 101.37 (8) |
| Yb1i—Yb1—Si1 | 121.53 (12) | Yb1xix—Yb2—Ca2xiv | 60.00 (7) |
| Yb1i—Yb1—Si1ix | 121.53 (11) | Yb1xix—Yb2—Yb2iv | 101.13 (6) |
| Yb1i—Yb1—Si1x | 121.53 (14) | Yb1xix—Yb2—Yb2xi | 150.00 (8) |
| Yb1i—Yb1—O2vi | 44.11 (18) | Yb1xix—Yb2—Yb2xii | 146.51 (8) |
| Yb1i—Yb1—O2vii | 44.1 (3) | Yb1xix—Yb2—Yb2xiii | 97.87 (7) |
| Yb1i—Yb1—O2viii | 44.1 (3) | Yb1xix—Yb2—Yb2viii | 101.37 (8) |
| Yb1ii—Yb1—Ca2iii | 65.23 (7) | Yb1xix—Yb2—Yb2xiv | 60.00 (7) |
| Yb1ii—Yb1—Ca2iv | 65.23 (7) | Yb1xix—Yb2—Si1 | 55.95 (14) |
| Yb1ii—Yb1—Ca2v | 65.23 (7) | Yb1xix—Yb2—Si1xi | 136.0 (2) |
| Yb1ii—Yb1—Ca2vi | 114.59 (7) | Yb1xix—Yb2—O3xiii | 42.54 (16) |
| Yb1ii—Yb1—Ca2vii | 114.59 (7) | Yb1xix—Yb2—O3xv | 91.72 (16) |
| Yb1ii—Yb1—Ca2viii | 114.59 (7) | Yb1xix—Yb2—O4 | 127.70 (9) |
| Yb1ii—Yb1—Yb2iii | 65.23 (7) | Yb1xx—Yb2—Yb1xxi | 104.16 (6) |
| Yb1ii—Yb1—Yb2iv | 65.23 (7) | Yb1xx—Yb2—Ca2 | 0 |
| Yb1ii—Yb1—Yb2v | 65.23 (7) | Yb1xx—Yb2—Ca2iv | 101.13 (6) |
| Yb1ii—Yb1—Yb2vi | 114.59 (7) | Yb1xx—Yb2—Ca2xi | 150.00 (8) |
| Yb1ii—Yb1—Yb2vii | 114.59 (7) | Yb1xx—Yb2—Ca2xii | 97.87 (7) |
| Yb1ii—Yb1—Yb2viii | 114.59 (7) | Yb1xx—Yb2—Ca2xiii | 146.51 (8) |
| Yb1ii—Yb1—Si1 | 58.47 (12) | Yb1xx—Yb2—Ca2viii | 60.00 (7) |
| Yb1ii—Yb1—Si1ix | 58.47 (11) | Yb1xx—Yb2—Ca2xiv | 101.37 (8) |
| Yb1ii—Yb1—Si1x | 58.47 (14) | Yb1xx—Yb2—Yb2iv | 101.13 (6) |
| Yb1ii—Yb1—O2vi | 135.89 (18) | Yb1xx—Yb2—Yb2xi | 150.00 (8) |
| Yb1ii—Yb1—O2vii | 135.9 (3) | Yb1xx—Yb2—Yb2xii | 97.87 (7) |
| Yb1ii—Yb1—O2viii | 135.9 (3) | Yb1xx—Yb2—Yb2xiii | 146.51 (8) |
| Ca2iii—Yb1—Ca2iv | 103.69 (10) | Yb1xx—Yb2—Yb2viii | 60.00 (7) |
| Ca2iii—Yb1—Ca2v | 103.69 (9) | Yb1xx—Yb2—Yb2xiv | 101.37 (8) |
| Ca2iii—Yb1—Ca2vi | 95.97 (4) | Yb1xx—Yb2—Si1 | 55.95 (14) |
| Ca2iii—Yb1—Ca2vii | 59.81 (4) | Yb1xx—Yb2—Si1xi | 136.0 (2) |
| Ca2iii—Yb1—Ca2viii | 157.21 (5) | Yb1xx—Yb2—O3xiii | 91.72 (16) |
| Ca2iii—Yb1—Yb2iii | 0 | Yb1xx—Yb2—O3xv | 42.54 (16) |
| Ca2iii—Yb1—Yb2iv | 103.69 (10) | Yb1xx—Yb2—O4 | 127.70 (9) |
| Ca2iii—Yb1—Yb2v | 103.69 (9) | Yb1xxi—Yb2—Ca2 | 0 |
| Ca2iii—Yb1—Yb2vi | 95.97 (4) | Yb1xxi—Yb2—Ca2iv | 150.19 (6) |
| Ca2iii—Yb1—Yb2vii | 59.81 (4) | Yb1xxi—Yb2—Ca2xi | 101.65 (6) |
| Ca2iii—Yb1—Yb2viii | 157.21 (5) | Yb1xxi—Yb2—Ca2xii | 101.81 (10) |
| Ca2iii—Yb1—Si1 | 123.45 (18) | Yb1xxi—Yb2—Ca2xiii | 60.19 (8) |
| Ca2iii—Yb1—Si1ix | 57.4 (2) | Yb1xxi—Yb2—Ca2viii | 146.57 (9) |
| Ca2iii—Yb1—Si1x | 47.98 (14) | Yb1xxi—Yb2—Ca2xiv | 97.63 (8) |
| Ca2iii—Yb1—O2vi | 121.5 (4) | Yb1xxi—Yb2—Yb2iv | 150.19 (6) |
| Ca2iii—Yb1—O2vii | 134.6 (4) | Yb1xxi—Yb2—Yb2xi | 101.65 (6) |
| Ca2iii—Yb1—O2viii | 71.2 (3) | Yb1xxi—Yb2—Yb2xii | 101.81 (10) |
| Ca2iv—Yb1—Ca2v | 103.69 (9) | Yb1xxi—Yb2—Yb2xiii | 60.19 (8) |
| Ca2iv—Yb1—Ca2vi | 157.21 (7) | Yb1xxi—Yb2—Yb2viii | 146.57 (9) |
| Ca2iv—Yb1—Ca2vii | 95.97 (5) | Yb1xxi—Yb2—Yb2xiv | 97.63 (8) |
| Ca2iv—Yb1—Ca2viii | 59.81 (4) | Yb1xxi—Yb2—Si1 | 139.51 (13) |
| Ca2iv—Yb1—Yb2iii | 103.69 (10) | Yb1xxi—Yb2—Si1xi | 52.1 (2) |
| Ca2iv—Yb1—Yb2iv | 0 | Yb1xxi—Yb2—O3xiii | 69.9 (3) |
| Ca2iv—Yb1—Yb2v | 103.69 (9) | Yb1xxi—Yb2—O3xv | 115.3 (3) |
| Ca2iv—Yb1—Yb2vi | 157.21 (7) | Yb1xxi—Yb2—O4 | 128.14 (6) |
| Ca2iv—Yb1—Yb2vii | 95.97 (5) | Ca2—Yb2—Ca2iv | 0 |
| Ca2iv—Yb1—Yb2viii | 59.81 (4) | Ca2—Yb2—Ca2xi | 0 |
| Ca2iv—Yb1—Si1 | 47.98 (14) | Ca2—Yb2—Ca2xii | 0 |
| Ca2iv—Yb1—Si1ix | 123.45 (17) | Ca2—Yb2—Ca2xiii | 0 |
| Ca2iv—Yb1—Si1x | 57.38 (16) | Ca2—Yb2—Ca2viii | 0 |
| Ca2iv—Yb1—O2vi | 71.17 (17) | Ca2—Yb2—Ca2xiv | 0 |
| Ca2iv—Yb1—O2vii | 121.5 (4) | Ca2—Yb2—Yb2iv | 0 |
| Ca2iv—Yb1—O2viii | 134.6 (3) | Ca2—Yb2—Yb2xi | 0 |
| Ca2v—Yb1—Ca2vi | 59.81 (3) | Ca2—Yb2—Yb2xii | 0 |
| Ca2v—Yb1—Ca2vii | 157.21 (4) | Ca2—Yb2—Yb2xiii | 0 |
| Ca2v—Yb1—Ca2viii | 95.97 (5) | Ca2—Yb2—Yb2viii | 0 |
| Ca2v—Yb1—Yb2iii | 103.69 (9) | Ca2—Yb2—Yb2xiv | 0 |
| Ca2v—Yb1—Yb2iv | 103.69 (9) | Ca2—Yb2—Si1 | 0 |
| Ca2v—Yb1—Yb2v | 0 | Ca2—Yb2—Si1xi | 0 |
| Ca2v—Yb1—Yb2vi | 59.81 (3) | Ca2—Yb2—O3xiii | 0 |
| Ca2v—Yb1—Yb2vii | 157.21 (4) | Ca2—Yb2—O3xv | 0 |
| Ca2v—Yb1—Yb2viii | 95.97 (5) | Ca2—Yb2—O4 | 0 |
| Ca2v—Yb1—Si1 | 57.38 (12) | Ca2iv—Yb2—Ca2xi | 60.00 (6) |
| Ca2v—Yb1—Si1ix | 48.0 (2) | Ca2iv—Yb2—Ca2xii | 90.00 (7) |
| Ca2v—Yb1—Si1x | 123.45 (19) | Ca2iv—Yb2—Ca2xiii | 90.00 (7) |
| Ca2v—Yb1—O2vi | 134.6 (4) | Ca2iv—Yb2—Ca2viii | 61.76 (6) |
| Ca2v—Yb1—O2vii | 71.2 (2) | Ca2iv—Yb2—Ca2xiv | 61.76 (6) |
| Ca2v—Yb1—O2viii | 121.5 (3) | Ca2iv—Yb2—Yb2iv | 0 |
| Ca2vi—Yb1—Ca2vii | 103.90 (9) | Ca2iv—Yb2—Yb2xi | 60.00 (6) |
| Ca2vi—Yb1—Ca2viii | 103.90 (9) | Ca2iv—Yb2—Yb2xii | 90.00 (7) |
| Ca2vi—Yb1—Yb2iii | 95.97 (4) | Ca2iv—Yb2—Yb2xiii | 90.00 (7) |
| Ca2vi—Yb1—Yb2iv | 157.21 (7) | Ca2iv—Yb2—Yb2viii | 61.76 (6) |
| Ca2vi—Yb1—Yb2v | 59.81 (3) | Ca2iv—Yb2—Yb2xiv | 61.76 (6) |
| Ca2vi—Yb1—Yb2vi | 0 | Ca2iv—Yb2—Si1 | 50.27 (16) |
| Ca2vi—Yb1—Yb2vii | 103.90 (9) | Ca2iv—Yb2—Si1xi | 115.4 (2) |
| Ca2vi—Yb1—Yb2viii | 103.90 (9) | Ca2iv—Yb2—O3xiii | 94.0 (3) |
| Ca2vi—Yb1—Si1 | 111.00 (13) | Ca2iv—Yb2—O3xv | 94.0 (3) |
| Ca2vi—Yb1—Si1ix | 59.15 (8) | Ca2iv—Yb2—O4 | 30.00 (5) |
| Ca2vi—Yb1—Si1x | 143.83 (15) | Ca2xi—Yb2—Ca2xii | 61.76 (4) |
| Ca2vi—Yb1—O2vi | 108.1 (2) | Ca2xi—Yb2—Ca2xiii | 61.76 (4) |
| Ca2vi—Yb1—O2vii | 41.3 (3) | Ca2xi—Yb2—Ca2viii | 90.00 (6) |
| Ca2vi—Yb1—O2viii | 62.9 (4) | Ca2xi—Yb2—Ca2xiv | 90.00 (6) |
| Ca2vii—Yb1—Ca2viii | 103.90 (10) | Ca2xi—Yb2—Yb2iv | 60.00 (6) |
| Ca2vii—Yb1—Yb2iii | 59.81 (4) | Ca2xi—Yb2—Yb2xi | 0 |
| Ca2vii—Yb1—Yb2iv | 95.97 (5) | Ca2xi—Yb2—Yb2xii | 61.76 (4) |
| Ca2vii—Yb1—Yb2v | 157.21 (4) | Ca2xi—Yb2—Yb2xiii | 61.76 (4) |
| Ca2vii—Yb1—Yb2vi | 103.90 (9) | Ca2xi—Yb2—Yb2viii | 90.00 (6) |
| Ca2vii—Yb1—Yb2vii | 0 | Ca2xi—Yb2—Yb2xiv | 90.00 (6) |
| Ca2vii—Yb1—Yb2viii | 103.90 (10) | Ca2xi—Yb2—Si1 | 110.27 (17) |
| Ca2vii—Yb1—Si1 | 143.83 (13) | Ca2xi—Yb2—Si1xi | 55.4 (2) |
| Ca2vii—Yb1—Si1ix | 111.0 (2) | Ca2xi—Yb2—O3xiii | 111.47 (15) |
| Ca2vii—Yb1—Si1x | 59.15 (14) | Ca2xi—Yb2—O3xv | 111.47 (15) |
| Ca2vii—Yb1—O2vi | 62.9 (4) | Ca2xi—Yb2—O4 | 30.00 (4) |
| Ca2vii—Yb1—O2vii | 108.1 (3) | Ca2xii—Yb2—Ca2xiii | 113.77 (5) |
| Ca2vii—Yb1—O2viii | 41.3 (4) | Ca2xii—Yb2—Ca2viii | 56.48 (4) |
| Ca2viii—Yb1—Yb2iii | 157.21 (5) | Ca2xii—Yb2—Ca2xiv | 148.29 (9) |
| Ca2viii—Yb1—Yb2iv | 59.81 (4) | Ca2xii—Yb2—Yb2iv | 90.00 (7) |
| Ca2viii—Yb1—Yb2v | 95.97 (5) | Ca2xii—Yb2—Yb2xi | 61.76 (4) |
| Ca2viii—Yb1—Yb2vi | 103.90 (9) | Ca2xii—Yb2—Yb2xii | 0 |
| Ca2viii—Yb1—Yb2vii | 103.90 (10) | Ca2xii—Yb2—Yb2xiii | 113.77 (5) |
| Ca2viii—Yb1—Yb2viii | 0 | Ca2xii—Yb2—Yb2viii | 56.48 (4) |
| Ca2viii—Yb1—Si1 | 59.15 (8) | Ca2xii—Yb2—Yb2xiv | 148.29 (9) |
| Ca2viii—Yb1—Si1ix | 143.8 (2) | Ca2xii—Yb2—Si1 | 114.84 (9) |
| Ca2viii—Yb1—Si1x | 111.00 (13) | Ca2xii—Yb2—Si1xi | 60.44 (8) |
| Ca2viii—Yb1—O2vi | 41.3 (4) | Ca2xii—Yb2—O3xiii | 168.7 (2) |
| Ca2viii—Yb1—O2vii | 62.9 (4) | Ca2xii—Yb2—O3xv | 55.76 (15) |
| Ca2viii—Yb1—O2viii | 108.1 (3) | Ca2xii—Yb2—O4 | 74.15 (5) |
| Yb2iii—Yb1—Yb2iv | 103.69 (10) | Ca2xiii—Yb2—Ca2viii | 148.29 (9) |
| Yb2iii—Yb1—Yb2v | 103.69 (9) | Ca2xiii—Yb2—Ca2xiv | 56.48 (4) |
| Yb2iii—Yb1—Yb2vi | 95.97 (4) | Ca2xiii—Yb2—Yb2iv | 90.00 (7) |
| Yb2iii—Yb1—Yb2vii | 59.81 (4) | Ca2xiii—Yb2—Yb2xi | 61.76 (4) |
| Yb2iii—Yb1—Yb2viii | 157.21 (5) | Ca2xiii—Yb2—Yb2xii | 113.77 (5) |
| Yb2iii—Yb1—Si1 | 123.45 (18) | Ca2xiii—Yb2—Yb2xiii | 0 |
| Yb2iii—Yb1—Si1ix | 57.4 (2) | Ca2xiii—Yb2—Yb2viii | 148.29 (9) |
| Yb2iii—Yb1—Si1x | 47.98 (14) | Ca2xiii—Yb2—Yb2xiv | 56.48 (4) |
| Yb2iii—Yb1—O2vi | 121.5 (4) | Ca2xiii—Yb2—Si1 | 114.84 (9) |
| Yb2iii—Yb1—O2vii | 134.6 (4) | Ca2xiii—Yb2—Si1xi | 60.44 (8) |
| Yb2iii—Yb1—O2viii | 71.2 (3) | Ca2xiii—Yb2—O3xiii | 55.76 (15) |
| Yb2iv—Yb1—Yb2v | 103.69 (9) | Ca2xiii—Yb2—O3xv | 168.7 (2) |
| Yb2iv—Yb1—Yb2vi | 157.21 (7) | Ca2xiii—Yb2—O4 | 74.15 (5) |
| Yb2iv—Yb1—Yb2vii | 95.97 (5) | Ca2viii—Yb2—Ca2xiv | 113.77 (8) |
| Yb2iv—Yb1—Yb2viii | 59.81 (4) | Ca2viii—Yb2—Yb2iv | 61.76 (6) |
| Yb2iv—Yb1—Si1 | 47.98 (14) | Ca2viii—Yb2—Yb2xi | 90.00 (6) |
| Yb2iv—Yb1—Si1ix | 123.45 (17) | Ca2viii—Yb2—Yb2xii | 56.48 (4) |
| Yb2iv—Yb1—Si1x | 57.38 (16) | Ca2viii—Yb2—Yb2xiii | 148.29 (9) |
| Yb2iv—Yb1—O2vi | 71.17 (17) | Ca2viii—Yb2—Yb2viii | 0 |
| Yb2iv—Yb1—O2vii | 121.5 (4) | Ca2viii—Yb2—Yb2xiv | 113.77 (8) |
| Yb2iv—Yb1—O2viii | 134.6 (3) | Ca2viii—Yb2—Si1 | 59.17 (5) |
| Yb2v—Yb1—Yb2vi | 59.81 (3) | Ca2viii—Yb2—Si1xi | 116.74 (9) |
| Yb2v—Yb1—Yb2vii | 157.21 (4) | Ca2viii—Yb2—O3xiii | 134.4 (2) |
| Yb2v—Yb1—Yb2viii | 95.97 (5) | Ca2viii—Yb2—O3xv | 32.5 (3) |
| Yb2v—Yb1—Si1 | 57.38 (12) | Ca2viii—Yb2—O4 | 74.15 (7) |
| Yb2v—Yb1—Si1ix | 48.0 (2) | Ca2xiv—Yb2—Yb2iv | 61.76 (6) |
| Yb2v—Yb1—Si1x | 123.45 (19) | Ca2xiv—Yb2—Yb2xi | 90.00 (6) |
| Yb2v—Yb1—O2vi | 134.6 (4) | Ca2xiv—Yb2—Yb2xii | 148.29 (9) |
| Yb2v—Yb1—O2vii | 71.2 (2) | Ca2xiv—Yb2—Yb2xiii | 56.48 (4) |
| Yb2v—Yb1—O2viii | 121.5 (3) | Ca2xiv—Yb2—Yb2viii | 113.77 (8) |
| Yb2vi—Yb1—Yb2vii | 103.90 (9) | Ca2xiv—Yb2—Yb2xiv | 0 |
| Yb2vi—Yb1—Yb2viii | 103.90 (9) | Ca2xiv—Yb2—Si1 | 59.17 (5) |
| Yb2vi—Yb1—Si1 | 111.00 (13) | Ca2xiv—Yb2—Si1xi | 116.74 (9) |
| Yb2vi—Yb1—Si1ix | 59.15 (8) | Ca2xiv—Yb2—O3xiii | 32.5 (3) |
| Yb2vi—Yb1—Si1x | 143.83 (15) | Ca2xiv—Yb2—O3xv | 134.4 (2) |
| Yb2vi—Yb1—O2vi | 108.1 (2) | Ca2xiv—Yb2—O4 | 74.15 (7) |
| Yb2vi—Yb1—O2vii | 41.3 (3) | Yb2iv—Yb2—Yb2xi | 60.00 (6) |
| Yb2vi—Yb1—O2viii | 62.9 (4) | Yb2iv—Yb2—Yb2xii | 90.00 (7) |
| Yb2vii—Yb1—Yb2viii | 103.90 (10) | Yb2iv—Yb2—Yb2xiii | 90.00 (7) |
| Yb2vii—Yb1—Si1 | 143.83 (13) | Yb2iv—Yb2—Yb2viii | 61.76 (6) |
| Yb2vii—Yb1—Si1ix | 111.0 (2) | Yb2iv—Yb2—Yb2xiv | 61.76 (6) |
| Yb2vii—Yb1—Si1x | 59.15 (14) | Yb2iv—Yb2—Si1 | 50.27 (16) |
| Yb2vii—Yb1—O2vi | 62.9 (4) | Yb2iv—Yb2—Si1xi | 115.4 (2) |
| Yb2vii—Yb1—O2vii | 108.1 (3) | Yb2iv—Yb2—O3xiii | 94.0 (3) |
| Yb2vii—Yb1—O2viii | 41.3 (4) | Yb2iv—Yb2—O3xv | 94.0 (3) |
| Yb2viii—Yb1—Si1 | 59.15 (8) | Yb2iv—Yb2—O4 | 30.00 (5) |
| Yb2viii—Yb1—Si1ix | 143.8 (2) | Yb2xi—Yb2—Yb2xii | 61.76 (4) |
| Yb2viii—Yb1—Si1x | 111.00 (13) | Yb2xi—Yb2—Yb2xiii | 61.76 (4) |
| Yb2viii—Yb1—O2vi | 41.3 (4) | Yb2xi—Yb2—Yb2viii | 90.00 (6) |
| Yb2viii—Yb1—O2vii | 62.9 (4) | Yb2xi—Yb2—Yb2xiv | 90.00 (6) |
| Yb2viii—Yb1—O2viii | 108.1 (3) | Yb2xi—Yb2—Si1 | 110.27 (17) |
| Si1—Yb1—Si1ix | 95.2 (2) | Yb2xi—Yb2—Si1xi | 55.4 (2) |
| Si1—Yb1—Si1x | 95.2 (2) | Yb2xi—Yb2—O3xiii | 111.47 (15) |
| Si1—Yb1—O2vi | 96.5 (3) | Yb2xi—Yb2—O3xv | 111.47 (15) |
| Si1—Yb1—O2vii | 92.6 (4) | Yb2xi—Yb2—O4 | 30.00 (4) |
| Si1—Yb1—O2viii | 165.3 (4) | Yb2xii—Yb2—Yb2xiii | 113.77 (5) |
| Si1ix—Yb1—Si1x | 95.2 (2) | Yb2xii—Yb2—Yb2viii | 56.48 (4) |
| Si1ix—Yb1—O2vi | 165.3 (3) | Yb2xii—Yb2—Yb2xiv | 148.29 (9) |
| Si1ix—Yb1—O2vii | 96.5 (3) | Yb2xii—Yb2—Si1 | 114.84 (9) |
| Si1ix—Yb1—O2viii | 92.6 (3) | Yb2xii—Yb2—Si1xi | 60.44 (8) |
| Si1x—Yb1—O2vi | 92.6 (3) | Yb2xii—Yb2—O3xiii | 168.7 (2) |
| Si1x—Yb1—O2vii | 165.3 (3) | Yb2xii—Yb2—O3xv | 55.76 (15) |
| Si1x—Yb1—O2viii | 96.5 (4) | Yb2xii—Yb2—O4 | 74.15 (5) |
| O2vi—Yb1—O2vii | 74.1 (4) | Yb2xiii—Yb2—Yb2viii | 148.29 (9) |
| O2vi—Yb1—O2viii | 74.1 (4) | Yb2xiii—Yb2—Yb2xiv | 56.48 (4) |
| O2vii—Yb1—O2viii | 74.1 (6) | Yb2xiii—Yb2—Si1 | 114.84 (9) |
| Ca1xviii—Ca2—Ca1xix | 104.16 (6) | Yb2xiii—Yb2—Si1xi | 60.44 (8) |
| Ca1xviii—Ca2—Ca1xx | 84.03 (5) | Yb2xiii—Yb2—O3xiii | 55.76 (15) |
| Ca1xviii—Ca2—Ca1xxi | 49.54 (10) | Yb2xiii—Yb2—O3xv | 168.7 (2) |
| Ca1xviii—Ca2—Yb1xviii | 0 | Yb2xiii—Yb2—O4 | 74.15 (5) |
| Ca1xviii—Ca2—Yb1xix | 104.16 (6) | Yb2viii—Yb2—Yb2xiv | 113.77 (8) |
| Ca1xviii—Ca2—Yb1xx | 84.03 (5) | Yb2viii—Yb2—Si1 | 59.17 (5) |
| Ca1xviii—Ca2—Yb1xxi | 49.54 (10) | Yb2viii—Yb2—Si1xi | 116.74 (9) |
| Ca1xviii—Ca2—Ca2iv | 150.19 (6) | Yb2viii—Yb2—O3xiii | 134.4 (2) |
| Ca1xviii—Ca2—Ca2xi | 101.65 (6) | Yb2viii—Yb2—O3xv | 32.5 (3) |
| Ca1xviii—Ca2—Ca2xii | 60.19 (8) | Yb2viii—Yb2—O4 | 74.15 (7) |
| Ca1xviii—Ca2—Ca2xiii | 101.81 (10) | Yb2xiv—Yb2—Si1 | 59.17 (5) |
| Ca1xviii—Ca2—Ca2viii | 97.63 (8) | Yb2xiv—Yb2—Si1xi | 116.74 (9) |
| Ca1xviii—Ca2—Ca2xiv | 146.57 (9) | Yb2xiv—Yb2—O3xiii | 32.5 (3) |
| Ca1xviii—Ca2—Yb2 | 0 | Yb2xiv—Yb2—O3xv | 134.4 (2) |
| Ca1xviii—Ca2—Yb2iv | 150.19 (6) | Yb2xiv—Yb2—O4 | 74.15 (7) |
| Ca1xviii—Ca2—Yb2xi | 101.65 (6) | Si1—Yb2—Si1xi | 165.7 (3) |
| Ca1xviii—Ca2—Yb2xii | 60.19 (8) | Si1—Yb2—O3xiii | 75.5 (2) |
| Ca1xviii—Ca2—Yb2xiii | 101.81 (10) | Si1—Yb2—O3xv | 75.5 (2) |
| Ca1xviii—Ca2—Yb2viii | 97.63 (8) | Si1—Yb2—O4 | 80.27 (18) |
| Ca1xviii—Ca2—Yb2xiv | 146.57 (9) | Si1xi—Yb2—O3xiii | 108.4 (2) |
| Ca1xviii—Ca2—Si1 | 139.51 (13) | Si1xi—Yb2—O3xv | 108.4 (2) |
| Ca1xviii—Ca2—Si1xi | 52.1 (2) | Si1xi—Yb2—O4 | 85.4 (2) |
| Ca1xviii—Ca2—O1xi | 32.19 (17) | O3xiii—Yb2—O3xv | 134.2 (2) |
| Ca1xviii—Ca2—O3xi | 43.3 (3) | O3xiii—Yb2—O4 | 104.6 (2) |
| Ca1xviii—Ca2—O3xiii | 115.3 (3) | O3xv—Yb2—O4 | 104.6 (2) |
| Ca1xviii—Ca2—O3xv | 69.9 (3) | Ca1—Si1—Ca1ii | 63.1 (2) |
| Ca1xviii—Ca2—O3xvi | 72.6 (2) | Ca1—Si1—Yb1 | 0 |
| Ca1xviii—Ca2—O4 | 128.14 (6) | Ca1—Si1—Yb1ii | 63.1 (2) |
| Ca1xix—Ca2—Ca1xx | 49.19 (10) | Ca1—Si1—Ca2 | 139.10 (16) |
| Ca1xix—Ca2—Ca1xxi | 84.03 (5) | Ca1—Si1—Ca2iv | 79.9 (2) |
| Ca1xix—Ca2—Yb1xviii | 104.16 (6) | Ca1—Si1—Yb2 | 139.10 (16) |
| Ca1xix—Ca2—Yb1xix | 0 | Ca1—Si1—Yb2iv | 79.9 (2) |
| Ca1xix—Ca2—Yb1xx | 49.19 (10) | Ca1—Si1—O1ix | 44.4 (4) |
| Ca1xix—Ca2—Yb1xxi | 84.03 (5) | Ca1—Si1—O2xvii | 137.7 (3) |
| Ca1xix—Ca2—Ca2iv | 101.13 (6) | Ca1—Si1—O3 | 60.5 (4) |
| Ca1xix—Ca2—Ca2xi | 150.00 (8) | Ca1—Si1—O3ii | 109.4 (6) |
| Ca1xix—Ca2—Ca2xii | 146.51 (8) | Ca1ii—Si1—Yb1 | 63.1 (2) |
| Ca1xix—Ca2—Ca2xiii | 97.87 (7) | Ca1ii—Si1—Yb1ii | 0 |
| Ca1xix—Ca2—Ca2viii | 101.37 (8) | Ca1ii—Si1—Ca2 | 139.10 (16) |
| Ca1xix—Ca2—Ca2xiv | 60.00 (7) | Ca1ii—Si1—Ca2iv | 79.9 (2) |
| Ca1xix—Ca2—Yb2 | 0 | Ca1ii—Si1—Yb2 | 139.10 (16) |
| Ca1xix—Ca2—Yb2iv | 101.13 (6) | Ca1ii—Si1—Yb2iv | 79.9 (2) |
| Ca1xix—Ca2—Yb2xi | 150.00 (8) | Ca1ii—Si1—O1ix | 44.4 (4) |
| Ca1xix—Ca2—Yb2xii | 146.51 (8) | Ca1ii—Si1—O2xvii | 137.7 (3) |
| Ca1xix—Ca2—Yb2xiii | 97.87 (7) | Ca1ii—Si1—O3 | 109.4 (6) |
| Ca1xix—Ca2—Yb2viii | 101.37 (8) | Ca1ii—Si1—O3ii | 60.5 (4) |
| Ca1xix—Ca2—Yb2xiv | 60.00 (7) | Yb1—Si1—Yb1ii | 63.1 (2) |
| Ca1xix—Ca2—Si1 | 55.95 (14) | Yb1—Si1—Ca2 | 139.10 (16) |
| Ca1xix—Ca2—Si1xi | 136.0 (2) | Yb1—Si1—Ca2iv | 79.9 (2) |
| Ca1xix—Ca2—O1xi | 75.2 (2) | Yb1—Si1—Yb2 | 139.10 (16) |
| Ca1xix—Ca2—O3xi | 147.4 (3) | Yb1—Si1—Yb2iv | 79.9 (2) |
| Ca1xix—Ca2—O3xiii | 42.54 (16) | Yb1—Si1—O1ix | 44.4 (4) |
| Ca1xix—Ca2—O3xv | 91.72 (16) | Yb1—Si1—O2xvii | 137.7 (3) |
| Ca1xix—Ca2—O3xvi | 114.5 (2) | Yb1—Si1—O3 | 60.5 (4) |
| Ca1xix—Ca2—O4 | 127.70 (9) | Yb1—Si1—O3ii | 109.4 (6) |
| Ca1xx—Ca2—Ca1xxi | 104.16 (6) | Yb1ii—Si1—Ca2 | 139.10 (16) |
| Ca1xx—Ca2—Yb1xviii | 84.03 (5) | Yb1ii—Si1—Ca2iv | 79.9 (2) |
| Ca1xx—Ca2—Yb1xix | 49.19 (10) | Yb1ii—Si1—Yb2 | 139.10 (16) |
| Ca1xx—Ca2—Yb1xx | 0 | Yb1ii—Si1—Yb2iv | 79.9 (2) |
| Ca1xx—Ca2—Yb1xxi | 104.16 (6) | Yb1ii—Si1—O1ix | 44.4 (4) |
| Ca1xx—Ca2—Ca2iv | 101.13 (6) | Yb1ii—Si1—O2xvii | 137.7 (3) |
| Ca1xx—Ca2—Ca2xi | 150.00 (8) | Yb1ii—Si1—O3 | 109.4 (6) |
| Ca1xx—Ca2—Ca2xii | 97.87 (7) | Yb1ii—Si1—O3ii | 60.5 (4) |
| Ca1xx—Ca2—Ca2xiii | 146.51 (8) | Ca2—Si1—Ca2iv | 74.29 (15) |
| Ca1xx—Ca2—Ca2viii | 60.00 (7) | Ca2—Si1—Yb2 | 0 |
| Ca1xx—Ca2—Ca2xiv | 101.37 (8) | Ca2—Si1—Yb2iv | 74.29 (15) |
| Ca1xx—Ca2—Yb2 | 0 | Ca2—Si1—O1ix | 174.5 (7) |
| Ca1xx—Ca2—Yb2iv | 101.13 (6) | Ca2—Si1—O2xvii | 57.3 (5) |
| Ca1xx—Ca2—Yb2xi | 150.00 (8) | Ca2—Si1—O3 | 78.6 (4) |
| Ca1xx—Ca2—Yb2xii | 97.87 (7) | Ca2—Si1—O3ii | 78.6 (4) |
| Ca1xx—Ca2—Yb2xiii | 146.51 (8) | Ca2iv—Si1—Yb2 | 74.29 (15) |
| Ca1xx—Ca2—Yb2viii | 60.00 (7) | Ca2iv—Si1—Yb2iv | 0 |
| Ca1xx—Ca2—Yb2xiv | 101.37 (8) | Ca2iv—Si1—O1ix | 111.2 (7) |
| Ca1xx—Ca2—Si1 | 55.95 (14) | Ca2iv—Si1—O2xvii | 131.6 (6) |
| Ca1xx—Ca2—Si1xi | 136.0 (2) | Ca2iv—Si1—O3 | 52.1 (3) |
| Ca1xx—Ca2—O1xi | 75.2 (2) | Ca2iv—Si1—O3ii | 52.1 (3) |
| Ca1xx—Ca2—O3xi | 114.5 (2) | Yb2—Si1—Yb2iv | 74.29 (15) |
| Ca1xx—Ca2—O3xiii | 91.72 (16) | Yb2—Si1—O1ix | 174.5 (7) |
| Ca1xx—Ca2—O3xv | 42.54 (16) | Yb2—Si1—O2xvii | 57.3 (5) |
| Ca1xx—Ca2—O3xvi | 147.4 (3) | Yb2—Si1—O3 | 78.6 (4) |
| Ca1xx—Ca2—O4 | 127.70 (9) | Yb2—Si1—O3ii | 78.6 (4) |
| Ca1xxi—Ca2—Yb1xviii | 49.54 (10) | Yb2iv—Si1—O1ix | 111.2 (7) |
| Ca1xxi—Ca2—Yb1xix | 84.03 (5) | Yb2iv—Si1—O2xvii | 131.6 (6) |
| Ca1xxi—Ca2—Yb1xx | 104.16 (6) | Yb2iv—Si1—O3 | 52.1 (3) |
| Ca1xxi—Ca2—Yb1xxi | 0 | Yb2iv—Si1—O3ii | 52.1 (3) |
| Ca1xxi—Ca2—Ca2iv | 150.19 (6) | O1ix—Si1—O2xvii | 117.2 (8) |
| Ca1xxi—Ca2—Ca2xi | 101.65 (6) | O1ix—Si1—O3 | 104.6 (6) |
| Ca1xxi—Ca2—Ca2xii | 101.81 (10) | O1ix—Si1—O3ii | 104.6 (6) |
| Ca1xxi—Ca2—Ca2xiii | 60.19 (8) | O2xvii—Si1—O3 | 112.6 (6) |
| Ca1xxi—Ca2—Ca2viii | 146.57 (9) | O2xvii—Si1—O3ii | 112.6 (6) |
| Ca1xxi—Ca2—Ca2xiv | 97.63 (8) | O3—Si1—O3ii | 104.1 (5) |
| Ca1xxi—Ca2—Yb2 | 0 | Ca1—O1—Ca1ii | 91.6 (4) |
| Ca1xxi—Ca2—Yb2iv | 150.19 (6) | Ca1—O1—Ca2iv | 114.3 (5) |
| Ca1xxi—Ca2—Yb2xi | 101.65 (6) | Ca1—O1—Si1x | 106.4 (5) |
| Ca1xxi—Ca2—Yb2xii | 101.81 (10) | Ca1ii—O1—Ca2iv | 114.3 (5) |
| Ca1xxi—Ca2—Yb2xiii | 60.19 (8) | Ca1ii—O1—Si1x | 106.4 (5) |
| Ca1xxi—Ca2—Yb2viii | 146.57 (9) | Ca2iv—O1—Si1x | 119.9 (6) |
| Ca1xxi—Ca2—Yb2xiv | 97.63 (8) | Ca1xix—O2—Ca1xx | 91.8 (3) |
| Ca1xxi—Ca2—Si1 | 139.51 (13) | Ca1xix—O2—Yb1xix | 0 |
| Ca1xxi—Ca2—Si1xi | 52.1 (2) | Ca1xix—O2—Yb1xx | 91.8 (3) |
| Ca1xxi—Ca2—O1xi | 32.19 (17) | Ca1xix—O2—Si1v | 128.6 (4) |
| Ca1xxi—Ca2—O3xi | 72.6 (2) | Ca1xx—O2—Yb1xix | 91.8 (3) |
| Ca1xxi—Ca2—O3xiii | 69.9 (3) | Ca1xx—O2—Yb1xx | 0 |
| Ca1xxi—Ca2—O3xv | 115.3 (3) | Ca1xx—O2—Si1v | 128.6 (4) |
| Ca1xxi—Ca2—O3xvi | 43.3 (3) | Yb1xix—O2—Yb1xx | 91.8 (3) |
| Ca1xxi—Ca2—O4 | 128.14 (6) | Yb1xix—O2—Si1v | 128.6 (4) |
| Yb1xviii—Ca2—Yb1xix | 104.16 (6) | Yb1xx—O2—Si1v | 128.6 (4) |
| Yb1xviii—Ca2—Yb1xx | 84.03 (5) | Ca2iv—O3—Ca2viii | 116.6 (2) |
| Yb1xviii—Ca2—Yb1xxi | 49.54 (10) | Ca2iv—O3—Yb2viii | 116.6 (2) |
| Yb1xviii—Ca2—Ca2iv | 150.19 (6) | Ca2iv—O3—Si1 | 97.0 (4) |
| Yb1xviii—Ca2—Ca2xi | 101.65 (6) | Ca2viii—O3—Yb2viii | 0 |
| Yb1xviii—Ca2—Ca2xii | 60.19 (8) | Ca2viii—O3—Si1 | 139.7 (6) |
| Yb1xviii—Ca2—Ca2xiii | 101.81 (10) | Yb2viii—O3—Si1 | 139.7 (6) |
| Yb1xviii—Ca2—Ca2viii | 97.63 (8) | Ca2—O4—Ca2iv | 120.00 (9) |
| Yb1xviii—Ca2—Ca2xiv | 146.57 (9) | Ca2—O4—Ca2xi | 120.00 (10) |
| Yb1xviii—Ca2—Yb2 | 0 | Ca2—O4—Yb2 | 0 |
| Yb1xviii—Ca2—Yb2iv | 150.19 (6) | Ca2—O4—Yb2iv | 120.00 (9) |
| Yb1xviii—Ca2—Yb2xi | 101.65 (6) | Ca2—O4—Yb2xi | 120.00 (10) |
| Yb1xviii—Ca2—Yb2xii | 60.19 (8) | Ca2iv—O4—Ca2xi | 120.00 (10) |
| Yb1xviii—Ca2—Yb2xiii | 101.81 (10) | Ca2iv—O4—Yb2 | 120.00 (9) |
| Yb1xviii—Ca2—Yb2viii | 97.63 (8) | Ca2iv—O4—Yb2iv | 0 |
| Yb1xviii—Ca2—Yb2xiv | 146.57 (9) | Ca2iv—O4—Yb2xi | 120.00 (10) |
| Yb1xviii—Ca2—Si1 | 139.51 (13) | Ca2xi—O4—Yb2 | 120.00 (10) |
| Yb1xviii—Ca2—Si1xi | 52.1 (2) | Ca2xi—O4—Yb2iv | 120.00 (10) |
| Yb1xviii—Ca2—O1xi | 32.19 (17) | Ca2xi—O4—Yb2xi | 0 |
| Yb1xviii—Ca2—O3xi | 43.3 (3) | Yb2—O4—Yb2iv | 120.00 (9) |
| Yb1xviii—Ca2—O3xiii | 115.3 (3) | Yb2—O4—Yb2xi | 120.00 (10) |
| Yb1xviii—Ca2—O3xv | 69.9 (3) | Yb2iv—O4—Yb2xi | 120.00 (10) |
| Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) x, y+1, z; (iv) −y, x−y, z; (v) −x+y+1, −x+1, z; (vi) −x+1, −y+1, z−1/2; (vii) y, −x+y+1, z−1/2; (viii) x−y, x, z−1/2; (ix) −y+1, x−y+1, z; (x) −x+y, −x+1, z; (xi) −x+y, −x, z; (xii) y, −x+y, z−1/2; (xiii) y, −x+y, z+1/2; (xiv) x−y, x, z+1/2; (xv) y, −x+y, −z; (xvi) −x+y, −x, −z+1/2; (xvii) −y+1, x−y, z; (xviii) x, y−1, z; (xix) −x+1, −y+1, z+1/2; (xx) −x+1, −y+1, −z; (xxi) x, y−1, −z+1/2. |
Sodium lanthanum silicate oxyapatite (Na-La) top
Crystal data top
| NaLa9(SiO4)6O2 | Z = 1 |
| Mr = 1857.63 | Dx = 5.279 Mg m−3 |
| Hexagonal, P63/m | Cu Kα radiation, λ = 1.54188 Å |
| a = 9.69061 (7) Å | T = 295 K |
| c = 7.18567 (6) Å | white |
| V = 584.39 (1) Å3 | flat_sheet, 25 × 25 mm |
Data collection top
| Bruker D8 Advance diffractometer | Data collection mode: reflection |
| Radiation source: sealed X-ray tube | Scan method: step |
| Specimen mounting: packed powder pellet | 2θmin = 10°, 2θmax = 70°, 2θstep = 0.009° |
Refinement top
| Rp = 0.04 | 29 parameters |
| Rwp = 0.06 | Weighting scheme based on measured s.u.'s |
| Rexp = 0.03 | (Δ/σ)max = 0.037 |
| RBragg = 0.05 | Background function: Chebychev |
| 6994 data points | Preferred orientation correction: spherical harmonic |
| Profile function: pseudo-Voigt |
Special details top
Refinement. Beq were fixed as 1Å squared during refinement as they result high errors |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Na1 | 0.333333 | 0.666667 | −0.002779 | 0.0127* | 0.25 |
| La1 | 0.333333 | 0.666667 | −0.002779 | 0.0127* | 0.75 |
| La2 | 0.231568 | −0.013605 | 0.25 | 0.0127* | |
| Si1 | 0.402659 | 0.370809 | 0.25 | 0.0127* | |
| O1 | 0.328041 | 0.481344 | 0.25 | 0.0127* | |
| O2 | 0.588006 | 0.463109 | 0.25 | 0.0127* | |
| O3 | 0.336277 | 0.252542 | 0.074479 | 0.0127* | |
| O4 | 0 | 0 | 0.25 | 0.0127* |
Geometric parameters (Å, º) top
| Na1—Na1i | 3.5529 | La1—O2v | 2.5054 |
| Na1—Na1ii | 3.6328 | La1—O2vi | 2.5054 |
| Na1—La1 | 0 | La1—O2vii | 2.5054 |
| Na1—La1i | 3.5529 | La2—O3viii | 2.4653 |
| Na1—La1ii | 3.6328 | La2—O3ix | 2.4653 |
| La1—La1i | 3.5529 | La2—O4 | 2.3128 |
| La1—La1ii | 3.6328 | Si1—O1 | 1.5636 |
| La1—O1 | 2.5367 | Si1—O2 | 1.5555 |
| La1—O1iii | 2.5367 | Si1—O3 | 1.6065 |
| La1—O1iv | 2.5367 | Si1—O3ii | 1.6065 |
| Na1i—Na1—Na1ii | 180 | La1i—La1—O2vi | 44.84 |
| Na1i—Na1—La1 | 0 | La1i—La1—O2vii | 44.84 |
| Na1i—Na1—La1i | 0 | La1ii—La1—O1 | 44.27 |
| Na1i—Na1—La1ii | 180 | La1ii—La1—O1iii | 44.27 |
| Na1ii—Na1—La1 | 0 | La1ii—La1—O1iv | 44.27 |
| Na1ii—Na1—La1i | 180 | La1ii—La1—O2v | 135.16 |
| Na1ii—Na1—La1ii | 0 | La1ii—La1—O2vi | 135.16 |
| La1—Na1—La1i | 0 | La1ii—La1—O2vii | 135.16 |
| La1—Na1—La1ii | 0 | O1—La1—O1iii | 74.39 |
| La1i—Na1—La1ii | 180 | O1—La1—O1iv | 74.39 |
| Na1—La1—Na1i | 0 | O1—La1—O2v | 93.2 |
| Na1—La1—Na1ii | 0 | O1—La1—O2vi | 154.53 |
| Na1—La1—La1i | 0 | O1—La1—O2vii | 124.37 |
| Na1—La1—La1ii | 0 | O1iii—La1—O1iv | 74.39 |
| Na1—La1—O1 | 0 | O1iii—La1—O2v | 124.36 |
| Na1—La1—O1iii | 0 | O1iii—La1—O2vi | 93.2 |
| Na1—La1—O1iv | 0 | O1iii—La1—O2vii | 154.53 |
| Na1—La1—O2v | 0 | O1iv—La1—O2v | 154.53 |
| Na1—La1—O2vi | 0 | O1iv—La1—O2vi | 124.37 |
| Na1—La1—O2vii | 0 | O1iv—La1—O2vii | 93.2 |
| Na1i—La1—Na1ii | 180 | O2v—La1—O2vi | 75.28 |
| Na1i—La1—La1i | 0 | O2v—La1—O2vii | 75.28 |
| Na1i—La1—La1ii | 180 | O2vi—La1—O2vii | 75.28 |
| Na1i—La1—O1 | 135.73 | O3viii—La2—O3ix | 142.09 |
| Na1i—La1—O1iii | 135.73 | O3viii—La2—O4 | 103.4 |
| Na1i—La1—O1iv | 135.73 | O3ix—La2—O4 | 103.4 |
| Na1i—La1—O2v | 44.84 | O1—Si1—O2 | 113.74 |
| Na1i—La1—O2vi | 44.84 | O1—Si1—O3 | 109.35 |
| Na1i—La1—O2vii | 44.84 | O1—Si1—O3ii | 109.35 |
| Na1ii—La1—La1i | 180 | O2—Si1—O3 | 110.22 |
| Na1ii—La1—La1ii | 0 | O2—Si1—O3ii | 110.22 |
| Na1ii—La1—O1 | 44.27 | O3—Si1—O3ii | 103.46 |
| Na1ii—La1—O1iii | 44.27 | La1—O1—La1ii | 91.46 |
| Na1ii—La1—O1iv | 44.27 | La1—O1—Si1 | 129.23 |
| Na1ii—La1—O2v | 135.16 | La1ii—O1—Si1 | 129.23 |
| Na1ii—La1—O2vi | 135.16 | La1x—O2—La1xi | 90.32 |
| Na1ii—La1—O2vii | 135.16 | La1x—O2—Si1 | 105.37 |
| La1i—La1—La1ii | 180 | La1xi—O2—Si1 | 105.37 |
| La1i—La1—O1 | 135.73 | La2vii—O3—Si1 | 143.18 |
| La1i—La1—O1iii | 135.73 | La2—O4—La2xii | 120 |
| La1i—La1—O1iv | 135.73 | La2—O4—La2xiii | 120 |
| La1i—La1—O2v | 44.84 | La2xii—O4—La2xiii | 120 |
| Symmetry codes: (i) x, y, −z−1/2; (ii) x, y, −z+1/2; (iii) −y+1, x−y+1, z; (iv) −x+y, −x+1, z; (v) −x+1, −y+1, z−1/2; (vi) y, −x+y+1, z−1/2; (vii) x−y, x, z−1/2; (viii) y, −x+y, z+1/2; (ix) y, −x+y, −z; (x) −x+1, −y+1, z+1/2; (xi) −x+1, −y+1, −z; (xii) −y, x−y, z; (xiii) −x+y, −x, z. |
Summary of data on Ca2RE8(SiO4)6O2 (RE = La, Ce, Pr, Nd,
Sm, Eu, Gd, Dy, Er, Yb,
Lu) from the current study and literature top
| Chemistry | a (Å) | c (Å) | Volume (Å3) | Density (Mg m-3) | Reference |
| Ca2La8(SiO4)6O2 | 9.6556 | 7.1532 | 578 | 5.105 | Current study |
| Ca2La8(SiO4)6O2 | 9.651 | 7.151 | 577 | 5.112 | PDF 00-029-0337 |
| Ca2La8(SiO4)6O2 | 9.651 | 7.155 | 577 | 5.110 | (Schroeder & Mathew, 1978) |
| Ca2La8(SiO4)6O2 | 9.63 | 7.12 | 571 | 5.165 | (Ito, 1968) |
| Ca2Ce8(SiO4)6O2 | 9.5991 | 7.0928 | 566 | 5.239 | (Massoni et al., 2018) |
| Ca2Pr8(SiO4)6O2 | 9.565 | 7.060 | 559 | 5.319 | PDF 00-029-0362 |
| Ca2Nd8(SiO4)6O2 | 9.5241 | 7.0221 | 552 | 5.474 | Current study |
| Ca2Nd8(SiO4)6O2 | 9.529 | 7.022 | 552 | 5.466 | PDF 00-028-0228 |
| Ca2Nd8(SiO4)6O2 | 9.5291 | 7.0222 | 552 | 5.467 | (Fahey et al., 1985) |
| Ca2Nd8(SiO4)6O2 | 9.52 | 7.00 | 549 | 5.501 | (Ito, 1968) |
| Ca2Sm8(SiO4)6O2 | 9.4669 | 6.9481 | 539 | 5.749 | Current study |
| Ca2Sm8(SiO4)6O2 | 9.466 | 6.949 | 539 | 5.752 | PDF 00-029-0365 |
| Ca2Sm8(SiO4)6O2 | 9.44 | 6.93 | 535 | 5.797 | (Ito, 1968) |
| Ca2Eu8(SiO4)6O2 | 9.4408 | 6.9180 | 534 | 5.846 | Current study |
| Ca2Eu8(SiO4)6O2 | 9.440 | 6.918 | 534 | 5.848 | PDF 00-029-0320 |
| Ca2Gd8(SiO4)6O2 | 9.39 | 6.87 | 525 | 6.081 | (Ito, 1968) |
| Ca2Gd8(SiO4)6O2 | 9.421 | 6.888 | 529 | 6.030 | PDF 00-028-0212 |
| Ca2Dy8(SiO4)6O2 | 9.37 | 6.81 | 518 | 6.298 | (Ito, 1968) |
| Ca2Er8(SiO4)6O2 | 9.33 | 6.75 | 509 | 6.534 | (Ito, 1968) |
| Ca2Yb8(SiO4)6O2 | 9.2974 | 6.6975 | 501 | 6.785 | Current study |
| Ca2Lu8(SiO4)6O2 | 9.28 | 6.68 | 498 | 6.884 | (Ito, 1968) |
EPMA measurements for oxyapatite samples
AxRE10-x(SiO4)6O2 (A = Ca or
Na,
RE =
La,
Ce, Nd, Sm
or
Yb)
synthesized in this study top
| Measurements shown as mean with standard deviations in parenthesis of including both mass% and as atoms in the unit cell normalized to 42; oxygen was calculated based on stoichiometry in both cases. |
| Sample ID | Mean (std devn) | A | RE | Si | O (calc. stoch.) | Total |
| Ca2La8Si6O26 | Mass % | 4.74 (0.18) | 62.45 (0.98) | 9.48 (0.21) | 23.48 (0.33) | 100.15 (1.29) |
| Atoms | 2.09 (0.10) | 7.96 (0.08 | 5.97 (0.05) | 25.98 (0.03) | 42 | |
| Ca2Nd8Si6O26 | Mass % | 4.47 (0.04) | 63.34 (0.25) | 9.44 (0.05) | 23.08 (0.06) | 100.33 (0.28) |
| Atoms | 2.01 (0.02) | 7.92 (0.03) | 6.06 (0.02) | 26.01 (0.01) | 42 | |
| Ca2Sm8Si6O26 | Mass % | 4.42 (0.03) | 65.72 (0.34) | 9.51 (0.05) | 23.09 (0.05) | 102.75 (0.34) |
| Atoms | 1.99 (0.01) | 7.88 (0.04) | 6.11 (0.03) | 26.03 (0.01) | 42 | |
| Ca2Eu8Si6O26 | Mass % | 4.38 (0.09) | 63.31 (1.09) | 8.35 (0.03) | 21.26 (0.12) | 97.29 (1.11) |
| Atoms | 2.13 (0.06) | 8.13 (0.10) | 5.80 (0.04) | 25.93 (0.004) | 42 | |
| Ca2Yb8Si6O26 | Mass % | 4.10 (0.10) | 67.01 (1.15) | 9.14 (0.17) | 21.35 (0.29) | 101.59 (1.45) |
| Atoms | 2.00 (0.05) | 7.57 (0.08) | 6.36 (0.07) | 26.07 (0.02) | 42 | |
| NaLa9Si6O26 | Mass % | 1.08 (0.08) | 68.46 (0.41) | 8.73 (0.16) | 22.15 (0.15) | 100.43 (0.37) |
| Atoms | 0.88 (0.07) | 9.26 (0.08) | 5.84 (0.08) | 26.02 (0.04) | 42 |
