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Large single crystals of the title compound were synthesized from the corresponding elements using an eutectic Cu/In mixture as a solvent. PrCu5-xIn1+x [x = 0.24 (1)] is a new ternary derivative of the orthorhombic CeCu6 structure type [space group Pnma (No. 62)]. This result contradicts the findings of Kalychak et al. [(1988). Dop. Akad. Nauk Ukr. RSR Ser. B, 9, 39-42], who found that CeCu4.38In1.62 belongs to a new structure type (space group Pnnm), derived from the parent CeCu6 compound by doubling the a axis. In the present structure, all the atoms except one of the Cu species occupy special positions with mirror symmetry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805011797/hb6183sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805011797/hb6183Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 93 K
  • Mean [sigma](n-Cu) = 0.001 Å
  • Disorder in main residue
  • R factor = 0.016
  • wR factor = 0.033
  • Data-to-parameter ratio = 15.1

checkCIF/PLATON results

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Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.25 Ratio PLAT301_ALERT_3_C Main Residue Disorder ......................... 4.00 Perc.
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: Cu4.76 In1.24 Pr1 Atom count from _chemical_formula_moiety:Pr4
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SMART; data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL; software used to prepare material for publication: SHELXL97 (Sheldrick, 2001).

(I) top
Crystal data top
Cu4.76(1)In1.24(1)PrF(000) = 1031
Mr = 585.74Dx = 8.485 Mg m3
Orthorhombic, PnmaMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2nCell parameters from 4154 reflections
a = 8.4061 (7) Åθ = 3.1–28.3°
b = 5.0843 (4) ŵ = 37.98 mm1
c = 10.7278 (8) ÅT = 93 K
V = 458.50 (6) Å3Plate, grey
Z = 40.06 × 0.06 × 0.05 mm
Data collection top
BRUKER SMART APEX 1000
diffractometer
633 independent reflections
Radiation source: fine-focus sealed tube560 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.033
Detector resolution: 8.3 pixels mm-1θmax = 28.3°, θmin = 3.1°
ω scansh = 1111
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
k = 66
Tmin = 0.124, Tmax = 0.150l = 1413
4154 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.016 w = 1/[σ2(Fo2) + (0.0056P)2 + 1.7135P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.033(Δ/σ)max < 0.001
S = 1.14Δρmax = 1.26 e Å3
633 reflectionsΔρmin = 0.98 e Å3
42 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.00370 (14)
Special details top

Experimental. Data collection is performed with four batch runs at φ = 0.00 ° (456 frames), at φ = 90.00 ° (456 frames), at φ = 180.00 ° (230 frames), and at φ = 270.00 (230 frames). Frame width = 0.40 \& in ω. Data is merged, corrected for decay, and treated with multi-scan absorption corrections.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Pr0.25568 (4)0.25000.44097 (3)0.00624 (11)
In10.13927 (5)0.25000.13686 (4)0.00587 (12)
Cu20.81579 (7)0.25000.74391 (6)0.0044 (2)0.763 (6)
In20.81579 (7)0.25000.74391 (6)0.0044 (2)0.237 (6)
Cu30.55754 (9)0.25000.60362 (7)0.00706 (17)
Cu40.91654 (8)0.25000.51499 (7)0.00542 (17)
Cu50.43325 (6)0.00316 (10)0.18790 (5)0.00543 (13)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pr0.00590 (17)0.00485 (18)0.0080 (2)0.0000.00050 (13)0.000
In10.0049 (2)0.0081 (2)0.0046 (2)0.0000.00006 (15)0.000
Cu20.0044 (3)0.0040 (4)0.0048 (4)0.0000.0000 (2)0.000
In20.0044 (3)0.0040 (4)0.0048 (4)0.0000.0000 (2)0.000
Cu30.0096 (4)0.0062 (4)0.0054 (4)0.0000.0004 (3)0.000
Cu40.0071 (3)0.0040 (4)0.0051 (4)0.0000.0010 (3)0.000
Cu50.0075 (3)0.0042 (3)0.0046 (3)0.00072 (19)0.00013 (19)0.0004 (2)
Geometric parameters (Å, º) top
Pr—Cu4i2.9594 (8)Cu2—Prii3.2798 (5)
Pr—Cu4ii2.9634 (4)Cu2—Priii3.2798 (5)
Pr—Cu4iii2.9634 (4)Cu2—Prxii3.4182 (8)
Pr—Cu3ii3.0260 (5)Cu3—Cu5iii2.5816 (9)
Pr—Cu3iii3.0260 (5)Cu3—Cu5xi2.5816 (9)
Pr—Cu33.0795 (8)Cu3—In2xiii2.6087 (10)
Pr—In2ii3.2798 (5)Cu3—Cu2xiii2.6087 (10)
Pr—Cu2ii3.2798 (5)Cu3—In1xiv2.6697 (9)
Pr—Cu2iii3.2798 (5)Cu3—Prii3.0260 (5)
Pr—In2iii3.2798 (5)Cu3—Priii3.0260 (5)
Pr—Cu5iv3.2913 (6)Cu3—In1xv3.0539 (5)
Pr—Cu5v3.2913 (6)Cu3—In1xvi3.0540 (5)
In1—Cu3iv2.6697 (9)Cu4—Cu5xiv2.5164 (9)
In1—Cu5vi2.8252 (7)Cu4—Cu5xvii2.5164 (9)
In1—Cu52.8252 (7)Cu4—Cu5ix2.5869 (8)
In1—Cu4iv2.8436 (9)Cu4—Cu5x2.5869 (8)
In1—Cu5iv2.8476 (6)Cu4—In1xiv2.8436 (9)
In1—Cu5v2.8476 (6)Cu4—Cu4xviii2.9214 (7)
In1—In2ii2.8708 (4)Cu4—Cu4xix2.9214 (7)
In1—Cu2ii2.8708 (4)Cu4—Prxx2.9594 (8)
In1—Cu2iii2.8708 (4)Cu4—Prii2.9634 (4)
In1—In2iii2.8708 (4)Cu4—Priii2.9634 (4)
In1—Cu3vii3.0540 (5)Cu5—Cu5vi2.5100 (11)
In1—Cu3viii3.0540 (5)Cu5—Cu4iv2.5164 (9)
Cu2—Cu5ix2.5432 (7)Cu5—In2xxi2.5433 (7)
Cu2—Cu5x2.5433 (7)Cu5—Cu2xxi2.5433 (7)
Cu2—Cu5iii2.5640 (7)Cu5—In2iii2.5640 (7)
Cu2—Cu5xi2.5640 (7)Cu5—Cu2iii2.5640 (7)
Cu2—Cu42.5977 (10)Cu5—Cu5xxii2.5743 (11)
Cu2—Cu3xii2.6087 (10)Cu5—Cu3iii2.5816 (9)
Cu2—Cu32.6415 (10)Cu5—Cu4xxi2.5870 (8)
Cu2—In1ii2.8708 (4)Cu5—In1xiv2.8476 (6)
Cu2—In1iii2.8708 (4)Cu5—Prxiv3.2913 (6)
Cu4i—Pr—Cu4ii59.110 (13)Cu5ix—Cu2—Prxii110.87 (2)
Cu4i—Pr—Cu4iii59.109 (13)Cu5x—Cu2—Prxii110.87 (2)
Cu4ii—Pr—Cu4iii118.15 (3)Cu5iii—Cu2—Prxii66.243 (19)
Cu4i—Pr—Cu3ii122.838 (14)Cu5xi—Cu2—Prxii66.243 (19)
Cu4ii—Pr—Cu3ii63.769 (18)Cu4—Cu2—Prxii169.47 (3)
Cu4iii—Pr—Cu3ii177.98 (2)Cu3xii—Cu2—Prxii59.67 (2)
Cu4i—Pr—Cu3iii122.838 (14)Cu3—Cu2—Prxii116.23 (3)
Cu4ii—Pr—Cu3iii177.98 (2)In1ii—Cu2—Prxii65.087 (15)
Cu4iii—Pr—Cu3iii63.768 (18)In1iii—Cu2—Prxii65.087 (15)
Cu3ii—Pr—Cu3iii114.30 (3)Prii—Cu2—Prxii124.819 (12)
Cu4i—Pr—Cu3129.92 (2)Priii—Cu2—Prxii124.819 (12)
Cu4ii—Pr—Cu3108.192 (17)Cu5iii—Cu3—Cu5xi59.81 (3)
Cu4iii—Pr—Cu3108.192 (17)Cu5iii—Cu3—In2xiii58.68 (2)
Cu3ii—Pr—Cu370.246 (18)Cu5xi—Cu3—In2xiii58.68 (2)
Cu3iii—Pr—Cu370.246 (18)Cu5iii—Cu3—Cu2xiii58.68 (2)
Cu4i—Pr—In2ii89.186 (16)Cu5xi—Cu3—Cu2xiii58.68 (2)
Cu4ii—Pr—In2ii48.853 (18)In2xiii—Cu3—Cu2xiii0.000 (16)
Cu4iii—Pr—In2ii132.21 (2)Cu5iii—Cu3—Cu258.79 (2)
Cu3ii—Pr—In2ii49.330 (17)Cu5xi—Cu3—Cu258.79 (2)
Cu3iii—Pr—In2ii130.59 (2)In2xiii—Cu3—Cu2106.44 (3)
Cu3—Pr—In2ii119.576 (13)Cu2xiii—Cu3—Cu2106.44 (3)
Cu4i—Pr—Cu2ii89.186 (16)Cu5iii—Cu3—In1xiv146.04 (2)
Cu4ii—Pr—Cu2ii48.853 (18)Cu5xi—Cu3—In1xiv146.04 (2)
Cu4iii—Pr—Cu2ii132.21 (2)In2xiii—Cu3—In1xiv143.75 (4)
Cu3ii—Pr—Cu2ii49.330 (17)Cu2xiii—Cu3—In1xiv143.75 (4)
Cu3iii—Pr—Cu2ii130.59 (2)Cu2—Cu3—In1xiv109.82 (3)
Cu3—Pr—Cu2ii119.576 (13)Cu5iii—Cu3—Prii122.70 (3)
In2ii—Pr—Cu2ii0.00 (3)Cu5xi—Cu3—Prii72.693 (17)
Cu4i—Pr—Cu2iii89.186 (16)In2xiii—Cu3—Prii120.220 (16)
Cu4ii—Pr—Cu2iii132.21 (2)Cu2xiii—Cu3—Prii120.220 (16)
Cu4iii—Pr—Cu2iii48.853 (18)Cu2—Cu3—Prii70.344 (17)
Cu3ii—Pr—Cu2iii130.59 (2)In1xiv—Cu3—Prii73.365 (17)
Cu3iii—Pr—Cu2iii49.330 (17)Cu5iii—Cu3—Priii72.693 (17)
Cu3—Pr—Cu2iii119.576 (13)Cu5xi—Cu3—Priii122.70 (3)
In2ii—Pr—Cu2iii101.63 (2)In2xiii—Cu3—Priii120.219 (16)
Cu2ii—Pr—Cu2iii101.63 (2)Cu2xiii—Cu3—Priii120.219 (16)
Cu4i—Pr—In2iii89.186 (16)Cu2—Cu3—Priii70.344 (17)
Cu4ii—Pr—In2iii132.21 (2)In1xiv—Cu3—Priii73.364 (17)
Cu4iii—Pr—In2iii48.853 (18)Prii—Cu3—Priii114.30 (3)
Cu3ii—Pr—In2iii130.59 (2)Cu5iii—Cu3—In1xv109.28 (3)
Cu3iii—Pr—In2iii49.330 (17)Cu5xi—Cu3—In1xv60.005 (17)
Cu3—Pr—In2iii119.576 (13)In2xiii—Cu3—In1xv60.316 (15)
In2ii—Pr—In2iii101.63 (2)Cu2xiii—Cu3—In1xv60.316 (15)
Cu2ii—Pr—In2iii101.63 (2)Cu2—Cu3—In1xv112.251 (19)
Cu2iii—Pr—In2iii0.00 (3)In1xiv—Cu3—In1xv104.611 (19)
Cu4i—Pr—Cu5iv47.109 (17)Prii—Cu3—In1xv66.436 (10)
Cu4ii—Pr—Cu5iv89.528 (18)Priii—Cu3—In1xv177.26 (3)
Cu4iii—Pr—Cu5iv48.513 (17)Cu5iii—Cu3—In1xvi60.005 (17)
Cu3ii—Pr—Cu5iv132.941 (19)Cu5xi—Cu3—In1xvi109.28 (3)
Cu3iii—Pr—Cu5iv92.325 (17)In2xiii—Cu3—In1xvi60.316 (15)
Cu3—Pr—Cu5iv156.429 (12)Cu2xiii—Cu3—In1xvi60.316 (15)
In2ii—Pr—Cu5iv83.725 (16)Cu2—Cu3—In1xvi112.251 (19)
Cu2ii—Pr—Cu5iv83.725 (16)In1xiv—Cu3—In1xvi104.611 (19)
Cu2iii—Pr—Cu5iv45.541 (14)Prii—Cu3—In1xvi177.26 (3)
In2iii—Pr—Cu5iv45.541 (14)Priii—Cu3—In1xvi66.435 (10)
Cu4i—Pr—Cu5v47.109 (17)In1xv—Cu3—In1xvi112.69 (3)
Cu4ii—Pr—Cu5v48.513 (17)Cu5iii—Cu3—Pr121.04 (3)
Cu4iii—Pr—Cu5v89.528 (18)Cu5xi—Cu3—Pr121.04 (3)
Cu3ii—Pr—Cu5v92.325 (17)In2xiii—Cu3—Pr73.35 (2)
Cu3iii—Pr—Cu5v132.941 (19)Cu2xiii—Cu3—Pr73.35 (2)
Cu3—Pr—Cu5v156.428 (12)Cu2—Cu3—Pr179.78 (3)
In2ii—Pr—Cu5v45.541 (14)In1xiv—Cu3—Pr70.40 (2)
Cu2ii—Pr—Cu5v45.541 (14)Prii—Cu3—Pr109.754 (18)
Cu2iii—Pr—Cu5v83.725 (15)Priii—Cu3—Pr109.754 (18)
In2iii—Pr—Cu5v83.725 (15)In1xv—Cu3—Pr67.654 (16)
Cu5iv—Pr—Cu5v44.83 (2)In1xvi—Cu3—Pr67.654 (16)
Cu3iv—In1—Cu5vi114.36 (2)Cu5xiv—Cu4—Cu5xvii59.83 (3)
Cu3iv—In1—Cu5114.36 (2)Cu5xiv—Cu4—Cu5ix110.174 (19)
Cu5vi—In1—Cu552.75 (2)Cu5xvii—Cu4—Cu5ix147.26 (3)
Cu3iv—In1—Cu4iv69.96 (2)Cu5xiv—Cu4—Cu5x147.26 (3)
Cu5vi—In1—Cu4iv52.707 (19)Cu5xvii—Cu4—Cu5x110.174 (19)
Cu5—In1—Cu4iv52.706 (19)Cu5ix—Cu4—Cu5x59.68 (3)
Cu3iv—In1—Cu5iv118.78 (2)Cu5xiv—Cu4—Cu2146.71 (2)
Cu5vi—In1—Cu5iv126.856 (18)Cu5xvii—Cu4—Cu2146.71 (2)
Cu5—In1—Cu5iv102.020 (17)Cu5ix—Cu4—Cu258.75 (2)
Cu4iv—In1—Cu5iv151.248 (14)Cu5x—Cu4—Cu258.75 (2)
Cu3iv—In1—Cu5v118.78 (2)Cu5xiv—Cu4—In1xiv63.27 (2)
Cu5vi—In1—Cu5v102.019 (17)Cu5xvii—Cu4—In1xiv63.27 (2)
Cu5—In1—Cu5v126.857 (18)Cu5ix—Cu4—In1xiv144.18 (2)
Cu4iv—In1—Cu5v151.248 (14)Cu5x—Cu4—In1xiv144.18 (2)
Cu5iv—In1—Cu5v52.30 (2)Cu2—Cu4—In1xiv105.92 (3)
Cu3iv—In1—In2ii117.673 (14)Cu5xiv—Cu4—Cu4xviii108.18 (4)
Cu5vi—In1—In2ii53.498 (17)Cu5xvii—Cu4—Cu4xviii56.22 (2)
Cu5—In1—In2ii101.06 (2)Cu5ix—Cu4—Cu4xviii106.11 (4)
Cu4iv—In1—In2ii98.476 (17)Cu5x—Cu4—Cu4xviii53.95 (2)
Cu5iv—In1—In2ii100.15 (2)Cu2—Cu4—Cu4xviii105.11 (3)
Cu5v—In1—In2ii52.814 (17)In1xiv—Cu4—Cu4xviii109.31 (3)
Cu3iv—In1—Cu2ii117.673 (14)Cu5xiv—Cu4—Cu4xix56.22 (2)
Cu5vi—In1—Cu2ii53.498 (17)Cu5xvii—Cu4—Cu4xix108.18 (4)
Cu5—In1—Cu2ii101.06 (2)Cu5ix—Cu4—Cu4xix53.95 (2)
Cu4iv—In1—Cu2ii98.476 (17)Cu5x—Cu4—Cu4xix106.11 (4)
Cu5iv—In1—Cu2ii100.15 (2)Cu2—Cu4—Cu4xix105.11 (3)
Cu5v—In1—Cu2ii52.814 (17)In1xiv—Cu4—Cu4xix109.31 (3)
In2ii—In1—Cu2ii0.00 (3)Cu4xviii—Cu4—Cu4xix120.96 (5)
Cu3iv—In1—Cu2iii117.672 (14)Cu5xiv—Cu4—Prxx73.39 (2)
Cu5vi—In1—Cu2iii101.06 (2)Cu5xvii—Cu4—Prxx73.39 (2)
Cu5—In1—Cu2iii53.499 (17)Cu5ix—Cu4—Prxx73.87 (2)
Cu4iv—In1—Cu2iii98.475 (17)Cu5x—Cu4—Prxx73.87 (2)
Cu5iv—In1—Cu2iii52.815 (17)Cu2—Cu4—Prxx124.59 (3)
Cu5v—In1—Cu2iii100.15 (2)In1xiv—Cu4—Prxx129.49 (3)
In2ii—In1—Cu2iii124.63 (3)Cu4xviii—Cu4—Prxx60.51 (2)
Cu2ii—In1—Cu2iii124.63 (3)Cu4xix—Cu4—Prxx60.51 (2)
Cu3iv—In1—In2iii117.672 (14)Cu5xiv—Cu4—Prii126.37 (3)
Cu5vi—In1—In2iii101.06 (2)Cu5xvii—Cu4—Prii74.771 (17)
Cu5—In1—In2iii53.499 (17)Cu5ix—Cu4—Prii123.43 (3)
Cu4iv—In1—In2iii98.475 (17)Cu5x—Cu4—Prii72.380 (17)
Cu5iv—In1—In2iii52.815 (17)Cu2—Cu4—Prii71.940 (17)
Cu5v—In1—In2iii100.15 (2)In1xiv—Cu4—Prii71.995 (16)
In2ii—In1—In2iii124.63 (3)Cu4xviii—Cu4—Prii60.378 (15)
Cu2ii—In1—In2iii124.63 (3)Cu4xix—Cu4—Prii177.05 (4)
Cu2iii—In1—In2iii0.00 (2)Prxx—Cu4—Prii120.892 (13)
Cu3iv—In1—Cu3vii75.389 (19)Cu5xiv—Cu4—Priii74.771 (17)
Cu5vi—In1—Cu3vii97.279 (17)Cu5xvii—Cu4—Priii126.37 (3)
Cu5—In1—Cu3vii150.026 (19)Cu5ix—Cu4—Priii72.380 (17)
Cu4iv—In1—Cu3vii112.156 (18)Cu5x—Cu4—Priii123.43 (3)
Cu5iv—In1—Cu3vii96.57 (2)Cu2—Cu4—Priii71.940 (17)
Cu5v—In1—Cu3vii51.739 (19)In1xiv—Cu4—Priii71.995 (16)
In2ii—In1—Cu3vii52.135 (17)Cu4xviii—Cu4—Priii177.05 (4)
Cu2ii—In1—Cu3vii52.135 (17)Cu4xix—Cu4—Priii60.377 (15)
Cu2iii—In1—Cu3vii149.37 (2)Prxx—Cu4—Priii120.891 (13)
In2iii—In1—Cu3vii149.37 (2)Prii—Cu4—Priii118.15 (3)
Cu3iv—In1—Cu3viii75.389 (19)Cu5vi—Cu5—Cu4iv60.085 (15)
Cu5vi—In1—Cu3viii150.026 (19)Cu5vi—Cu5—In2xxi120.405 (14)
Cu5—In1—Cu3viii97.279 (17)Cu4iv—Cu5—In2xxi120.20 (3)
Cu4iv—In1—Cu3viii112.155 (18)Cu5vi—Cu5—Cu2xxi120.405 (14)
Cu5iv—In1—Cu3viii51.739 (19)Cu4iv—Cu5—Cu2xxi120.20 (3)
Cu5v—In1—Cu3viii96.57 (2)In2xxi—Cu5—Cu2xxi0.00 (3)
In2ii—In1—Cu3viii149.37 (2)Cu5vi—Cu5—In2iii120.133 (14)
Cu2ii—In1—Cu3viii149.37 (2)Cu4iv—Cu5—In2iii116.84 (3)
Cu2iii—In1—Cu3viii52.135 (17)In2xxi—Cu5—In2iii110.84 (2)
In2iii—In1—Cu3viii52.135 (17)Cu2xxi—Cu5—In2iii110.84 (2)
Cu3vii—In1—Cu3viii112.69 (3)Cu5vi—Cu5—Cu2iii120.133 (14)
Cu5ix—Cu2—Cu5x60.81 (3)Cu4iv—Cu5—Cu2iii116.84 (3)
Cu5ix—Cu2—Cu5iii119.38 (2)In2xxi—Cu5—Cu2iii110.84 (2)
Cu5x—Cu2—Cu5iii177.08 (3)Cu2xxi—Cu5—Cu2iii110.84 (2)
Cu5ix—Cu2—Cu5xi177.08 (3)In2iii—Cu5—Cu2iii0.00 (3)
Cu5x—Cu2—Cu5xi119.38 (2)Cu5vi—Cu5—Cu5xxii180.0
Cu5iii—Cu2—Cu5xi60.26 (3)Cu4iv—Cu5—Cu5xxii119.916 (15)
Cu5ix—Cu2—Cu460.41 (2)In2xxi—Cu5—Cu5xxii59.596 (14)
Cu5x—Cu2—Cu460.41 (2)Cu2xxi—Cu5—Cu5xxii59.596 (14)
Cu5iii—Cu2—Cu4122.41 (3)In2iii—Cu5—Cu5xxii59.866 (14)
Cu5xi—Cu2—Cu4122.41 (3)Cu2iii—Cu5—Cu5xxii59.866 (14)
Cu5ix—Cu2—Cu3xii60.13 (2)Cu5vi—Cu5—Cu3iii119.906 (15)
Cu5x—Cu2—Cu3xii60.13 (2)Cu4iv—Cu5—Cu3iii178.52 (3)
Cu5iii—Cu2—Cu3xii117.20 (3)In2xxi—Cu5—Cu3iii61.19 (2)
Cu5xi—Cu2—Cu3xii117.20 (3)Cu2xxi—Cu5—Cu3iii61.19 (2)
Cu4—Cu2—Cu3xii109.80 (3)In2iii—Cu5—Cu3iii61.77 (2)
Cu5ix—Cu2—Cu3123.17 (3)Cu2iii—Cu5—Cu3iii61.77 (2)
Cu5x—Cu2—Cu3123.17 (3)Cu5xxii—Cu5—Cu3iii60.093 (15)
Cu5iii—Cu2—Cu359.44 (2)Cu5vi—Cu5—Cu4xxi119.839 (15)
Cu5xi—Cu2—Cu359.44 (2)Cu4iv—Cu5—Cu4xxi69.826 (19)
Cu4—Cu2—Cu374.30 (3)In2xxi—Cu5—Cu4xxi60.84 (2)
Cu3xii—Cu2—Cu3175.90 (3)Cu2xxi—Cu5—Cu4xxi60.84 (2)
Cu5ix—Cu2—In1ii116.38 (2)In2iii—Cu5—Cu4xxi110.69 (2)
Cu5x—Cu2—In1ii63.123 (16)Cu2iii—Cu5—Cu4xxi110.69 (2)
Cu5iii—Cu2—In1ii115.14 (2)Cu5xxii—Cu5—Cu4xxi60.162 (15)
Cu5xi—Cu2—In1ii62.341 (16)Cu3iii—Cu5—Cu4xxi111.01 (3)
Cu4—Cu2—In1ii112.230 (16)Cu5vi—Cu5—In163.626 (12)
Cu3xii—Cu2—In1ii67.548 (15)Cu4iv—Cu5—In164.02 (2)
Cu3—Cu2—In1ii111.224 (15)In2xxi—Cu5—In1174.98 (3)
Cu5ix—Cu2—In1iii63.124 (16)Cu2xxi—Cu5—In1174.98 (3)
Cu5x—Cu2—In1iii116.38 (2)In2iii—Cu5—In164.161 (17)
Cu5iii—Cu2—In1iii62.341 (16)Cu2iii—Cu5—In164.161 (17)
Cu5xi—Cu2—In1iii115.14 (2)Cu5xxii—Cu5—In1116.373 (12)
Cu4—Cu2—In1iii112.230 (16)Cu3iii—Cu5—In1114.56 (3)
Cu3xii—Cu2—In1iii67.548 (15)Cu4xxi—Cu5—In1120.60 (3)
Cu3—Cu2—In1iii111.224 (15)Cu5vi—Cu5—In1xiv63.850 (12)
In1ii—Cu2—In1iii124.63 (3)Cu4iv—Cu5—In1xiv112.65 (2)
Cu5ix—Cu2—Prii113.67 (2)In2xxi—Cu5—In1xiv64.062 (17)
Cu5x—Cu2—Prii67.470 (16)Cu2xxi—Cu5—In1xiv64.062 (17)
Cu5iii—Cu2—Prii114.33 (2)In2iii—Cu5—In1xiv121.97 (3)
Cu5xi—Cu2—Prii68.523 (16)Cu2iii—Cu5—In1xiv121.97 (3)
Cu4—Cu2—Prii59.207 (14)Cu5xxii—Cu5—In1xiv116.150 (12)
Cu3xii—Cu2—Prii121.458 (14)Cu3iii—Cu5—In1xiv68.256 (19)
Cu3—Cu2—Prii60.326 (14)Cu4xxi—Cu5—In1xiv113.32 (3)
In1ii—Cu2—Prii66.871 (11)In1—Cu5—In1xiv117.66 (2)
In1iii—Cu2—Prii168.50 (2)Cu5vi—Cu5—Prxiv67.586 (10)
Cu5ix—Cu2—Priii67.470 (16)Cu4iv—Cu5—Prxiv59.50 (2)
Cu5x—Cu2—Priii113.67 (2)In2xxi—Cu5—Prxiv66.989 (17)
Cu5iii—Cu2—Priii68.523 (16)Cu2xxi—Cu5—Prxiv66.989 (17)
Cu5xi—Cu2—Priii114.33 (2)In2iii—Cu5—Prxiv169.61 (2)
Cu4—Cu2—Priii59.207 (14)Cu2iii—Cu5—Prxiv169.61 (2)
Cu3xii—Cu2—Priii121.457 (14)Cu5xxii—Cu5—Prxiv112.415 (10)
Cu3—Cu2—Priii60.326 (14)Cu3iii—Cu5—Prxiv121.96 (3)
In1ii—Cu2—Priii168.50 (2)Cu4xxi—Cu5—Prxiv59.106 (16)
In1iii—Cu2—Priii66.870 (11)In1—Cu5—Prxiv118.003 (19)
Prii—Cu2—Priii101.63 (2)In1xiv—Cu5—Prxiv66.946 (16)
Symmetry codes: (i) x1, y, z; (ii) x+1, y+1, z+1; (iii) x+1, y, z+1; (iv) x1/2, y, z+1/2; (v) x1/2, y+1/2, z+1/2; (vi) x, y+1/2, z; (vii) x+1/2, y+1, z1/2; (viii) x+1/2, y, z1/2; (ix) x+3/2, y, z+1/2; (x) x+3/2, y+1/2, z+1/2; (xi) x+1, y+1/2, z+1; (xii) x+1/2, y, z+3/2; (xiii) x1/2, y, z+3/2; (xiv) x+1/2, y, z+1/2; (xv) x+1/2, y+1, z+1/2; (xvi) x+1/2, y, z+1/2; (xvii) x+1/2, y+1/2, z+1/2; (xviii) x+2, y+1, z+1; (xix) x+2, y, z+1; (xx) x+1, y, z; (xxi) x+3/2, y, z1/2; (xxii) x, y1/2, z.
 

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