

Supporting information
![]() | Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536814010216/hb0009sup1.cif |
![]() | Structure factor file (CIF format) https://doi.org/10.1107/S1600536814010216/hb0009Isup2.hkl |
CCDC reference: 1004262
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean
(Al-O) = 0.002 Å
- Disorder in main residue
- R factor = 0.027
- wR factor = 0.061
- Data-to-parameter ratio = 24.8
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT043_ALERT_1_C Calculated and Reported Mol. Weight Differ by .. 2.62 Check PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... Please Check PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. Please Check PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) Range 3.6 Ratio PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 Why ? PLAT975_ALERT_2_C Check Calcd Residual Density 0.72A From O2 0.63 eA-3 PLAT976_ALERT_2_C Check Calcd Residual Density 1.01A From O6 -0.58 eA-3
Alert level G PLAT004_ALERT_5_G Polymeric Structure Found with Dimension ....... 3 Info PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT017_ALERT_1_G Check Consistency of Scattering Type SR for PB1 PLAT017_ALERT_1_G Check Consistency of Scattering Type SR for PB2 PLAT017_ALERT_1_G Check Consistency of Scattering Type PB for SR1 PLAT017_ALERT_1_G Check Consistency of Scattering Type PB for SR2 PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.25 Ratio PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) SR1 -- O2 .. 5.9 su PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 2 Note PLAT302_ALERT_4_G Anion/Solvent Disorder ............ Percentage = 100 Note PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 2 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 7 Note
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
A mixture of 2PbCO3.Pb(OH)2, SrCO3 and Al(OH)3 (molar ratio 1:6:24) was heated in a platinum crucible over a period of 24 h to 1233 K, kept at this temperature for 10 h and cooled over a period of 24 h to room temperature. A few colourless platy crystals of the title compound grew on top of a brick-red microcrystalline matrix that was not further analysed.
Atom labels and starting parameters for refinement were taken from the isotypic compound (Sr1.33Pb0.67)Al6O11 (Plötz & Müller-Buschbaum, 1982). The two M2+ sites are statistically occupied by Pb and Sr. For each site, full occupancy was considered and the occupancy factors refined independently. The highest and lowest remaining electron densities are located 0.64 Å and 0.72 Å, respectively, from the site (Sr1/Pb1).
Data collection: SMART (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ATOMS for Windows (Dowty, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).
(Sr1.65Pb0.35)Al6O11 | F(000) = 1030 |
Mr = 555.27 | Dx = 4.084 Mg m−3 |
Orthorhombic, Pnnm | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2 2n | Cell parameters from 3598 reflections |
a = 22.0299 (4) Å | θ = 3.7–32.5° |
b = 4.8802 (1) Å | µ = 16.94 mm−1 |
c = 8.3995 (2) Å | T = 296 K |
V = 903.03 (3) Å3 | Plate, colourless |
Z = 4 | 0.12 × 0.05 × 0.05 mm |
Bruker SMART CCD diffractometer | 2509 independent reflections |
Radiation source: fine-focus sealed tube | 2190 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.042 |
ω scans | θmax = 37.5°, θmin = 3.7° |
Absorption correction: multi-scan (SADABS; Bruker, 2008) | h = −30→37 |
Tmin = 0.236, Tmax = 0.485 | k = −6→8 |
10434 measured reflections | l = −14→9 |
Refinement on F2 | Primary atom site location: isomorphous structure methods |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0244P)2 + 0.7036P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.027 | (Δ/σ)max = 0.001 |
wR(F2) = 0.061 | Δρmax = 1.12 e Å−3 |
S = 1.05 | Δρmin = −1.51 e Å−3 |
2509 reflections | Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
101 parameters | Extinction coefficient: 0.0022 (3) |
0 restraints |
(Sr1.65Pb0.35)Al6O11 | V = 903.03 (3) Å3 |
Mr = 555.27 | Z = 4 |
Orthorhombic, Pnnm | Mo Kα radiation |
a = 22.0299 (4) Å | µ = 16.94 mm−1 |
b = 4.8802 (1) Å | T = 296 K |
c = 8.3995 (2) Å | 0.12 × 0.05 × 0.05 mm |
Bruker SMART CCD diffractometer | 2509 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2008) | 2190 reflections with I > 2σ(I) |
Tmin = 0.236, Tmax = 0.485 | Rint = 0.042 |
10434 measured reflections |
R[F2 > 2σ(F2)] = 0.027 | 101 parameters |
wR(F2) = 0.061 | 0 restraints |
S = 1.05 | Δρmax = 1.12 e Å−3 |
2509 reflections | Δρmin = −1.51 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Pb1 | 0.364795 (11) | 0.12254 (4) | 0.0000 | 0.01369 (7) | 0.756 (2) |
Pb2 | 0.155369 (11) | 0.54620 (5) | 0.0000 | 0.01112 (8) | 0.8968 (19) |
Sr1 | 0.364795 (11) | 0.12254 (4) | 0.0000 | 0.01369 (7) | 0.244 (2) |
Sr2 | 0.155369 (11) | 0.54620 (5) | 0.0000 | 0.01112 (8) | 0.1032 (19) |
Al1 | 0.0000 | 0.0000 | 0.5000 | 0.00496 (19) | |
Al2 | 0.0000 | 0.5000 | 0.0000 | 0.00509 (19) | |
Al3 | 0.0000 | 0.5000 | 0.66773 (9) | 0.00472 (14) | |
Al4 | 0.21348 (3) | 0.11886 (11) | 0.29528 (7) | 0.00638 (12) | |
Al5 | 0.07460 (3) | 0.00878 (11) | 0.17903 (6) | 0.00472 (11) | |
O1 | 0.05605 (9) | 0.8271 (4) | 0.0000 | 0.0055 (3) | |
O2 | 0.29866 (14) | 0.5677 (5) | 0.0000 | 0.0197 (5) | |
O3 | 0.45181 (6) | 0.3230 (3) | 0.84219 (15) | 0.0060 (2) | |
O4 | 0.34669 (7) | 0.4960 (3) | 0.31766 (19) | 0.0118 (3) | |
O5 | 0.45552 (9) | 0.8297 (4) | 0.0000 | 0.0055 (3) | |
O6 | 0.95192 (6) | 0.6515 (3) | 0.83661 (15) | 0.0062 (2) | |
O7 | 0.28328 (7) | 0.9728 (3) | 0.24121 (19) | 0.0117 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.01691 (12) | 0.01109 (9) | 0.01306 (9) | 0.00260 (7) | 0.000 | 0.000 |
Pb2 | 0.00748 (12) | 0.01603 (12) | 0.00985 (10) | 0.00238 (8) | 0.000 | 0.000 |
Sr1 | 0.01691 (12) | 0.01109 (9) | 0.01306 (9) | 0.00260 (7) | 0.000 | 0.000 |
Sr2 | 0.00748 (12) | 0.01603 (12) | 0.00985 (10) | 0.00238 (8) | 0.000 | 0.000 |
Al1 | 0.0059 (5) | 0.0041 (4) | 0.0049 (4) | −0.0004 (4) | 0.000 | 0.000 |
Al2 | 0.0039 (5) | 0.0070 (4) | 0.0044 (4) | 0.0012 (4) | 0.000 | 0.000 |
Al3 | 0.0043 (3) | 0.0048 (3) | 0.0050 (3) | 0.0001 (2) | 0.000 | 0.000 |
Al4 | 0.0049 (3) | 0.0067 (2) | 0.0075 (2) | −0.00021 (18) | −0.00054 (18) | 0.00025 (16) |
Al5 | 0.0035 (2) | 0.0052 (2) | 0.0054 (2) | −0.00008 (18) | 0.00009 (17) | 0.00014 (16) |
O1 | 0.0041 (8) | 0.0060 (7) | 0.0063 (7) | −0.0011 (6) | 0.000 | 0.000 |
O2 | 0.0319 (15) | 0.0187 (10) | 0.0086 (8) | 0.0063 (10) | 0.000 | 0.000 |
O3 | 0.0058 (6) | 0.0064 (5) | 0.0058 (5) | 0.0007 (4) | −0.0006 (4) | 0.0001 (4) |
O4 | 0.0046 (6) | 0.0151 (6) | 0.0157 (6) | −0.0009 (5) | −0.0023 (5) | 0.0065 (5) |
O5 | 0.0065 (8) | 0.0045 (7) | 0.0055 (6) | −0.0002 (6) | 0.000 | 0.000 |
O6 | 0.0058 (6) | 0.0063 (5) | 0.0065 (5) | 0.0013 (4) | −0.0007 (4) | 0.0000 (4) |
O7 | 0.0067 (6) | 0.0087 (6) | 0.0196 (7) | 0.0000 (5) | −0.0011 (5) | −0.0016 (5) |
Pb1—O5i | 2.4569 (19) | Al1—O3vii | 1.9055 (13) |
Pb1—O3ii | 2.5275 (13) | Al1—O3xv | 1.9055 (13) |
Pb1—O3iii | 2.5275 (13) | Al2—O6xi | 1.8847 (13) |
Pb1—O2 | 2.616 (3) | Al2—O6xvi | 1.8847 (13) |
Pb1—O7iv | 2.8042 (16) | Al2—O6xvii | 1.8847 (13) |
Pb1—O7i | 2.8042 (16) | Al2—O6x | 1.8847 (13) |
Pb1—O2i | 3.075 (3) | Al2—O1 | 2.0181 (19) |
Pb1—O4 | 3.2558 (17) | Al2—O1xviii | 2.0181 (19) |
Pb1—O4v | 3.2558 (17) | Al3—O3xv | 1.9021 (13) |
Pb2—O1 | 2.582 (2) | Al3—O3xix | 1.9021 (13) |
Pb2—O7vi | 2.5846 (16) | Al3—O5xx | 1.9067 (14) |
Pb2—O7vii | 2.5846 (16) | Al3—O5vi | 1.9067 (14) |
Pb2—O4viii | 2.6771 (15) | Al3—O6xxi | 1.9186 (14) |
Pb2—O4ix | 2.6771 (15) | Al3—O6xxii | 1.9186 (14) |
Pb2—O6x | 2.8983 (14) | Al4—O4vi | 1.7368 (16) |
Pb2—O6xi | 2.8983 (14) | Al4—O7i | 1.7548 (17) |
Pb2—O4vii | 3.0914 (17) | Al4—O7vi | 1.7556 (16) |
Pb2—O4vi | 3.0914 (17) | Al4—O2vi | 1.7581 (8) |
Pb2—O2 | 3.158 (3) | Al5—O4vi | 1.7352 (16) |
Al1—O5xii | 1.8841 (18) | Al5—O3vii | 1.7433 (14) |
Al1—O5vi | 1.8841 (18) | Al5—O6xi | 1.7627 (14) |
Al1—O3xiii | 1.9055 (13) | Al5—O1i | 1.7929 (11) |
Al1—O3xiv | 1.9055 (13) | ||
O5i—Pb1—O3ii | 66.93 (5) | O6xvii—Al2—O6x | 180.0 |
O5i—Pb1—O3iii | 66.93 (5) | O6xi—Al2—O1 | 88.08 (5) |
O3ii—Pb1—O3iii | 63.26 (6) | O6xvi—Al2—O1 | 91.92 (5) |
O5i—Pb1—O2 | 159.41 (8) | O6xvii—Al2—O1 | 91.92 (5) |
O3ii—Pb1—O2 | 95.80 (6) | O6x—Al2—O1 | 88.08 (5) |
O3iii—Pb1—O2 | 95.80 (6) | O6xi—Al2—O1xviii | 91.92 (5) |
O5i—Pb1—O7iv | 111.67 (4) | O6xvi—Al2—O1xviii | 88.08 (5) |
O3ii—Pb1—O7iv | 164.89 (4) | O6xvii—Al2—O1xviii | 88.08 (5) |
O3iii—Pb1—O7iv | 101.98 (4) | O6x—Al2—O1xviii | 91.92 (5) |
O2—Pb1—O7iv | 81.94 (5) | O1—Al2—O1xviii | 180.0 |
O5i—Pb1—O7i | 111.67 (4) | O3xv—Al3—O3xix | 174.98 (9) |
O3ii—Pb1—O7i | 101.98 (4) | O3xv—Al3—O5xx | 92.40 (7) |
O3iii—Pb1—O7i | 164.89 (4) | O3xix—Al3—O5xx | 83.88 (7) |
O2—Pb1—O7i | 81.94 (5) | O3xv—Al3—O5vi | 83.88 (7) |
O7iv—Pb1—O7i | 92.52 (6) | O3xix—Al3—O5vi | 92.40 (7) |
O5i—Pb1—O2i | 82.72 (7) | O5xx—Al3—O5vi | 84.72 (9) |
O3ii—Pb1—O2i | 134.44 (5) | O3xv—Al3—O6xxi | 91.22 (6) |
O3iii—Pb1—O2i | 134.44 (5) | O3xix—Al3—O6xxi | 92.49 (6) |
O2—Pb1—O2i | 117.87 (11) | O5xx—Al3—O6xxi | 176.38 (7) |
O7iv—Pb1—O2i | 57.79 (4) | O5vi—Al3—O6xxi | 95.43 (6) |
O7i—Pb1—O2i | 57.79 (4) | O3xv—Al3—O6xxii | 92.49 (6) |
O5i—Pb1—O4 | 115.16 (3) | O3xix—Al3—O6xxii | 91.22 (6) |
O3ii—Pb1—O4 | 56.39 (4) | O5xx—Al3—O6xxii | 95.43 (6) |
O3iii—Pb1—O4 | 107.82 (4) | O5vi—Al3—O6xxii | 176.38 (7) |
O2—Pb1—O4 | 57.78 (3) | O6xxi—Al3—O6xxii | 84.65 (9) |
O7iv—Pb1—O4 | 131.27 (4) | O4vi—Al4—O7i | 112.79 (8) |
O7i—Pb1—O4 | 58.36 (4) | O4vi—Al4—O7vi | 105.98 (8) |
O2i—Pb1—O4 | 115.78 (3) | O7i—Al4—O7vi | 108.60 (6) |
O5i—Pb1—O4v | 115.16 (3) | O4vi—Al4—O2vi | 111.66 (11) |
O3ii—Pb1—O4v | 107.82 (4) | O7i—Al4—O2vi | 109.19 (12) |
O3iii—Pb1—O4v | 56.39 (4) | O7vi—Al4—O2vi | 108.46 (10) |
O2—Pb1—O4v | 57.78 (3) | O4vi—Al5—O3vii | 107.59 (8) |
O7iv—Pb1—O4v | 58.36 (4) | O4vi—Al5—O6xi | 111.47 (7) |
O7i—Pb1—O4v | 131.27 (4) | O3vii—Al5—O6xi | 115.93 (7) |
O2i—Pb1—O4v | 115.78 (3) | O4vi—Al5—O1i | 102.91 (8) |
O4—Pb1—O4v | 110.07 (5) | O3vii—Al5—O1i | 109.03 (7) |
O1—Pb2—O7vi | 121.11 (4) | O6xi—Al5—O1i | 109.09 (7) |
O1—Pb2—O7vii | 121.11 (4) | Al5xxiii—O1—Al5xxiv | 114.01 (10) |
O7vi—Pb2—O7vii | 114.50 (7) | Al5xxiii—O1—Al2 | 122.05 (6) |
O1—Pb2—O4viii | 63.27 (5) | Al5xxiv—O1—Al2 | 122.05 (6) |
O7vi—Pb2—O4viii | 68.99 (5) | Al5xxiii—O1—Pb2 | 93.98 (7) |
O7vii—Pb2—O4viii | 127.14 (5) | Al5xxiv—O1—Pb2 | 93.98 (7) |
O1—Pb2—O4ix | 63.27 (4) | Al2—O1—Pb2 | 95.65 (7) |
O7vi—Pb2—O4ix | 127.14 (5) | Al4ix—O2—Al4viii | 155.98 (17) |
O7vii—Pb2—O4ix | 68.99 (5) | Al4ix—O2—Pb1 | 101.69 (8) |
O4viii—Pb2—O4ix | 69.79 (7) | Al4viii—O2—Pb1 | 101.69 (8) |
O1—Pb2—O6x | 59.05 (4) | Al4ix—O2—Pb1xxiii | 86.97 (9) |
O7vi—Pb2—O6x | 141.12 (4) | Al4viii—O2—Pb1xxiii | 86.97 (9) |
O7vii—Pb2—O6x | 88.97 (4) | Pb1—O2—Pb1xxiii | 117.87 (11) |
O4viii—Pb2—O6x | 122.01 (4) | Al4ix—O2—Pb2 | 81.53 (10) |
O4ix—Pb2—O6x | 89.33 (4) | Al4viii—O2—Pb2 | 81.53 (10) |
O1—Pb2—O6xi | 59.05 (4) | Pb1—O2—Pb2 | 121.94 (10) |
O7vi—Pb2—O6xi | 88.97 (4) | Pb1xxiii—O2—Pb2 | 120.19 (8) |
O7vii—Pb2—O6xi | 141.12 (4) | Al5xxv—O3—Al3xiv | 125.65 (8) |
O4viii—Pb2—O6xi | 89.33 (4) | Al5xxv—O3—Al1xix | 119.80 (7) |
O4ix—Pb2—O6xi | 122.01 (4) | Al3xiv—O3—Al1xix | 95.46 (6) |
O6x—Pb2—O6xi | 56.52 (5) | Al5xxv—O3—Pb1xxvi | 111.13 (7) |
O1—Pb2—O4vii | 116.66 (5) | Al3xiv—O3—Pb1xxvi | 97.22 (5) |
O7vi—Pb2—O4vii | 107.69 (4) | Al1xix—O3—Pb1xxvi | 103.48 (5) |
O7vii—Pb2—O4vii | 58.03 (4) | Al5xxv—O3—Sr1xxvi | 111.13 (7) |
O4viii—Pb2—O4vii | 174.49 (4) | Al3xiv—O3—Sr1xxvi | 97.22 (5) |
O4ix—Pb2—O4vii | 115.37 (5) | Al1xix—O3—Sr1xxvi | 103.48 (5) |
O6x—Pb2—O4vii | 57.61 (4) | Al5viii—O4—Al4viii | 139.38 (10) |
O6xi—Pb2—O4vii | 86.18 (4) | Al5viii—O4—Pb2vi | 92.13 (6) |
O1—Pb2—O4vi | 116.66 (5) | Al4viii—O4—Pb2vi | 125.63 (8) |
O7vi—Pb2—O4vi | 58.03 (4) | Al5viii—O4—Sr2vi | 92.13 (6) |
O7vii—Pb2—O4vi | 107.69 (4) | Al4viii—O4—Sr2vi | 125.63 (8) |
O4viii—Pb2—O4vi | 115.37 (5) | Al5viii—O4—Pb2viii | 88.60 (6) |
O4ix—Pb2—O4vi | 174.49 (4) | Al4viii—O4—Pb2viii | 87.68 (6) |
O6x—Pb2—O4vi | 86.18 (4) | Pb2vi—O4—Pb2viii | 115.37 (5) |
O6xi—Pb2—O4vi | 57.61 (4) | Sr2vi—O4—Pb2viii | 115.37 (5) |
O4vii—Pb2—O4vi | 59.39 (5) | Al5viii—O4—Pb1 | 84.88 (6) |
O1—Pb2—O2 | 146.03 (6) | Al4viii—O4—Pb1 | 80.74 (6) |
O7vi—Pb2—O2 | 58.80 (4) | Pb2vi—O4—Pb1 | 90.68 (5) |
O7vii—Pb2—O2 | 58.80 (4) | Sr2vi—O4—Pb1 | 90.68 (5) |
O4viii—Pb2—O2 | 89.41 (5) | Pb2viii—O4—Pb1 | 153.38 (5) |
O4ix—Pb2—O2 | 89.41 (5) | Al1viii—O5—Al3xxvii | 96.02 (7) |
O6x—Pb2—O2 | 145.70 (4) | Al1viii—O5—Al3viii | 96.02 (7) |
O6xi—Pb2—O2 | 145.70 (4) | Al3xxvii—O5—Al3viii | 95.28 (9) |
O4vii—Pb2—O2 | 92.50 (5) | Al1viii—O5—Sr1xxiii | 156.90 (10) |
O4vi—Pb2—O2 | 92.50 (5) | Al3xxvii—O5—Sr1xxiii | 99.48 (6) |
O5xii—Al1—O5vi | 180.0 | Al3viii—O5—Sr1xxiii | 99.48 (6) |
O5xii—Al1—O3xiii | 95.60 (6) | Al1viii—O5—Pb1xxiii | 156.90 (10) |
O5vi—Al1—O3xiii | 84.40 (6) | Al3xxvii—O5—Pb1xxiii | 99.48 (6) |
O5xii—Al1—O3xiv | 84.40 (6) | Al3viii—O5—Pb1xxiii | 99.48 (6) |
O5vi—Al1—O3xiv | 95.60 (6) | Al5xi—O6—Al2xxviii | 127.55 (7) |
O3xiii—Al1—O3xiv | 180.0 | Al5xi—O6—Al3xxix | 119.36 (7) |
O5xii—Al1—O3vii | 84.40 (6) | Al2xxviii—O6—Al3xxix | 94.41 (6) |
O5vi—Al1—O3vii | 95.60 (6) | Al5xi—O6—Pb2xi | 94.48 (6) |
O3xiii—Al1—O3vii | 91.84 (8) | Al2xxviii—O6—Pb2xi | 89.02 (5) |
O3xiv—Al1—O3vii | 88.16 (8) | Al3xxix—O6—Pb2xi | 132.22 (6) |
O5xii—Al1—O3xv | 95.60 (6) | Al4xxiii—O7—Al4viii | 118.72 (9) |
O5vi—Al1—O3xv | 84.40 (6) | Al4xxiii—O7—Pb2viii | 100.62 (7) |
O3xiii—Al1—O3xv | 88.16 (8) | Al4viii—O7—Pb2viii | 105.19 (7) |
O3xiv—Al1—O3xv | 91.84 (8) | Al4xxiii—O7—Sr2viii | 100.62 (7) |
O3vii—Al1—O3xv | 180.0 | Al4viii—O7—Sr2viii | 105.19 (7) |
O6xi—Al2—O6xvi | 180.0 | Al4xxiii—O7—Pb1xxiii | 129.96 (8) |
O6xi—Al2—O6xvii | 86.54 (8) | Al4viii—O7—Pb1xxiii | 95.99 (7) |
O6xvi—Al2—O6xvii | 93.46 (8) | Pb2viii—O7—Pb1xxiii | 103.69 (5) |
O6xi—Al2—O6x | 93.46 (8) | Sr2viii—O7—Pb1xxiii | 103.69 (5) |
O6xvi—Al2—O6x | 86.54 (8) |
Symmetry codes: (i) x, y−1, z; (ii) x, y, −z+1; (iii) x, y, z−1; (iv) x, y−1, −z; (v) x, y, −z; (vi) −x+1/2, y−1/2, −z+1/2; (vii) −x+1/2, y−1/2, z−1/2; (viii) −x+1/2, y+1/2, −z+1/2; (ix) −x+1/2, y+1/2, z−1/2; (x) −x+1, −y+1, z−1; (xi) −x+1, −y+1, −z+1; (xii) x−1/2, −y+1/2, z+1/2; (xiii) x−1/2, −y+1/2, z−1/2; (xiv) −x+1/2, y−1/2, −z+3/2; (xv) x−1/2, −y+1/2, −z+3/2; (xvi) x−1, y, z−1; (xvii) x−1, y, −z+1; (xviii) −x, −y+1, −z; (xix) −x+1/2, y+1/2, −z+3/2; (xx) x−1/2, −y+3/2, z+1/2; (xxi) −x+1, −y+1, z; (xxii) x−1, y, z; (xxiii) x, y+1, z; (xxiv) x, y+1, −z; (xxv) −x+1/2, y+1/2, z+1/2; (xxvi) x, y, z+1; (xxvii) x+1/2, −y+3/2, z−1/2; (xxviii) x+1, y, z+1; (xxix) x+1, y, z. |
Experimental details
Crystal data | |
Chemical formula | (Sr1.65Pb0.35)Al6O11 |
Mr | 555.27 |
Crystal system, space group | Orthorhombic, Pnnm |
Temperature (K) | 296 |
a, b, c (Å) | 22.0299 (4), 4.8802 (1), 8.3995 (2) |
V (Å3) | 903.03 (3) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 16.94 |
Crystal size (mm) | 0.12 × 0.05 × 0.05 |
Data collection | |
Diffractometer | Bruker SMART CCD diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2008) |
Tmin, Tmax | 0.236, 0.485 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 10434, 2509, 2190 |
Rint | 0.042 |
(sin θ/λ)max (Å−1) | 0.857 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.027, 0.061, 1.05 |
No. of reflections | 2509 |
No. of parameters | 101 |
Δρmax, Δρmin (e Å−3) | 1.12, −1.51 |
Computer programs: SMART (Bruker, 2008), SAINT (Bruker, 2008), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ATOMS for Windows (Dowty, 2006), publCIF (Westrip, 2010).