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The ternary inter­metallic title compound, known hitherto as UCu5Sn (uranium penta­copper stannide), crystallizes with the hexa­gonal CeNi5Sn structure type, and it has been presumed to be a fully stoichiometric phase, devoid of any disorder. However, the present single-crystal X-ray diffraction studies at 120 K, carried out with crystals grown from an Sn flux, suggest the existence of a previously unnoticed phase width of the title compound UCu5−xSn. All the atoms occupy special positions: U (\overline{6}m2, \overline{3}m.), Sn (3m.) and Cu (.m., 3m., and two positions with \overline{6}m2).

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806011159/wm2010sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806011159/wm2010Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • Mean [sigma](n-Cu) = 0.003 Å
  • Disorder in main residue
  • R factor = 0.029
  • wR factor = 0.079
  • Data-to-parameter ratio = 10.6

checkCIF/PLATON results

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Alert level B PLAT301_ALERT_3_B Main Residue Disorder ......................... 39.00 Perc.
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 PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 24.00 Perc. PLAT701_ALERT_1_C Bond Calc 2.8787(3), Rep 2.87836(17), Dev.. 1.13 Sigma U1 -CU3 1.555 13.666 PLAT701_ALERT_1_C Bond Calc 2.8787(3), Rep 2.87836(17), Dev.. 1.13 Sigma CU3 -U1 1.555 13.666
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 6 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 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; 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: SHELXTL.

uranium pentacopper stannide top
Crystal data top
UCu4.63SnDx = 9.881 Mg m3
Mr = 650.59Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P63/mmcCell parameters from 3213 reflections
Hall symbol: -P 6c 2cθ = 2–28°
a = 4.9855 (3) ŵ = 64.36 mm1
c = 20.317 (2) ÅT = 120 K
V = 437.32 (6) Å3Irregular, grey
Z = 40.10 × 0.05 × 0.04 mm
F(000) = 1105
Data collection top
Bruker SMART APEX
diffractometer
254 independent reflections
Radiation source: fine-focus sealed tube225 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.046
Detector resolution: 8.3 pixels mm-1θmax = 28.2°, θmin = 2.0°
ω scansh = 66
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
k = 66
Tmin = 0.027, Tmax = 0.076l = 2327
3213 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)] = 0.029 w = 1/[σ2(Fo2) + (0.0559P)2 + 0.4422P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.079(Δ/σ)max < 0.001
S = 1.17Δρmax = 2.82 e Å3
254 reflectionsΔρmin = 2.07 e Å3
24 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.0068 (8)
Special details top

Experimental. Data collection is performed with four batch runs at φ = 0.00 ° (450 frames), at φ = 90.00 ° (450 frames), at φ = 180.00 ° (450 frames), and at φ = 270.00 (450 frames). Frame width = 0.40 \& in ω. Data are 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)
U10.33330.66670.75000.0161 (4)
U20.00000.00000.00000.0146 (4)
Sn0.33330.66670.58458 (7)0.0164 (4)
Cu10.16600 (19)0.3320 (4)0.14724 (7)0.0137 (6)0.896 (8)
Cu20.33330.66670.04440 (11)0.0154 (5)
Cu30.33330.66670.25000.0105 (12)0.879 (18)
Cu40.00000.00000.25000.0174 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
U10.0157 (4)0.0157 (4)0.0169 (6)0.0078 (2)0.0000.000
U20.0140 (4)0.0140 (4)0.0159 (5)0.0070 (2)0.0000.000
Sn0.0167 (5)0.0167 (5)0.0158 (6)0.0083 (2)0.0000.000
Cu10.0136 (7)0.0131 (8)0.0141 (8)0.0066 (4)0.0005 (3)0.0010 (6)
Cu20.0158 (7)0.0158 (7)0.0144 (10)0.0079 (4)0.0000.000
Cu30.0108 (14)0.0108 (14)0.0100 (17)0.0054 (7)0.0000.000
Cu40.0167 (10)0.0167 (10)0.0186 (15)0.0084 (5)0.0000.000
Geometric parameters (Å, º) top
U1—Cu3i2.8784 (2)Cu1—Cu1xxv2.503 (3)
U1—Cu4ii2.8784 (2)Cu1—Cu1xxvi2.503 (3)
U1—Cu4i2.8784 (2)Cu1—Cu42.5324 (14)
U1—Cu4iii2.8784 (2)Cu1—Cu32.5390 (15)
U1—Cu3iv2.8784 (2)Cu1—Cu22.540 (2)
U1—Cu3ii2.8784 (2)Cu1—Snxxvii2.7990 (10)
U1—Cu1v3.2516 (9)Cu1—Snxxviii2.7991 (10)
U1—Cu1vi3.2516 (9)Cu1—U1i3.2515 (9)
U1—Cu1vii3.2516 (9)Cu1—U1ii3.2515 (9)
U1—Cu1viii3.2516 (9)Cu2—Cu1xxvi2.540 (2)
U1—Cu1ii3.2516 (9)Cu2—Cu1xxv2.540 (2)
U1—Cu1ix3.2516 (9)Cu2—Snxix2.620 (3)
U2—Cu2x3.0164 (7)Cu2—Snxxvii2.9919 (8)
U2—Cu2xi3.0164 (7)Cu2—Snxxix2.9919 (8)
U2—Cu2xii3.0164 (7)Cu2—Snxxviii2.9919 (8)
U2—Cu23.0164 (7)Cu2—U2xxx3.0164 (7)
U2—Cu2xiii3.0164 (7)Cu2—U2xxxi3.0164 (7)
U2—Cu2xiv3.0164 (7)Cu3—Cu1xxxii2.5390 (15)
U2—Cu1x3.3171 (14)Cu3—Cu1xxvi2.5390 (15)
U2—Cu1xv3.3171 (14)Cu3—Cu1xxxiii2.5390 (15)
U2—Cu1xvi3.3171 (14)Cu3—Cu1xix2.5390 (15)
U2—Cu1xvii3.3171 (14)Cu3—Cu1xxv2.5390 (15)
U2—Cu1xviii3.3171 (14)Cu3—U1i2.8784 (2)
U2—Cu13.3172 (14)Cu3—Cu4xxx2.8784 (2)
Sn—Cu2xix2.620 (3)Cu3—Cu4xxxi2.8784 (2)
Sn—Cu1xx2.7990 (10)Cu3—Cu42.8784 (2)
Sn—Cu1ix2.7990 (10)Cu3—U1ii2.8784 (2)
Sn—Cu1viii2.7990 (10)Cu3—U1iv2.8784 (2)
Sn—Cu1v2.7990 (10)Cu4—Cu1xix2.5325 (15)
Sn—Cu1xxi2.7990 (10)Cu4—Cu1xviii2.5325 (15)
Sn—Cu1xxii2.7990 (10)Cu4—Cu1xxxiv2.5325 (14)
Sn—Cu2xxi2.9919 (8)Cu4—Cu1xvi2.5325 (14)
Sn—Cu2viii2.9919 (8)Cu4—Cu1xxxv2.5325 (15)
Sn—Cu2xxiii2.9919 (8)Cu4—Cu3xii2.8784 (2)
Sn—U2xxiv3.3523 (7)Cu4—U1i2.8784 (2)
Sn—U2viii3.3523 (7)Cu4—U1iii2.8784 (2)
Cu1—Cu1xviii2.483 (3)Cu4—Cu3xiv2.8784 (2)
Cu1—Cu1xvi2.483 (3)Cu4—U1ii2.8784 (2)
Cu3i—U1—Cu4ii180.0Cu1xxv—Cu1—Snxxvii63.44 (3)
Cu3i—U1—Cu4i60.0Cu1xxvi—Cu1—Snxxvii116.33 (3)
Cu4ii—U1—Cu4i120.0Cu4—Cu1—Snxxvii112.09 (4)
Cu3i—U1—Cu4iii60.0Cu3—Cu1—Snxxvii111.89 (4)
Cu4ii—U1—Cu4iii120.0Cu2—Cu1—Snxxvii67.96 (4)
Cu4i—U1—Cu4iii120.0Cu1xviii—Cu1—Snxxviii63.67 (3)
Cu3i—U1—Cu3iv120.0Cu1xvi—Cu1—Snxxviii116.56 (3)
Cu4ii—U1—Cu3iv60.0Cu1xxv—Cu1—Snxxviii116.33 (3)
Cu4i—U1—Cu3iv60.0Cu1xxvi—Cu1—Snxxviii63.44 (3)
Cu4iii—U1—Cu3iv180.0Cu4—Cu1—Snxxviii112.09 (4)
Cu3i—U1—Cu3ii120.0Cu3—Cu1—Snxxviii111.89 (4)
Cu4ii—U1—Cu3ii60.0Cu2—Cu1—Snxxviii67.96 (4)
Cu4i—U1—Cu3ii180.0Snxxvii—Cu1—Snxxviii125.89 (8)
Cu4iii—U1—Cu3ii60.0Cu1xviii—Cu1—U1i112.64 (3)
Cu3iv—U1—Cu3ii120.0Cu1xvi—Cu1—U1i67.56 (3)
Cu3i—U1—Cu1v89.90 (3)Cu1xxv—Cu1—U1i67.37 (3)
Cu4ii—U1—Cu1v90.10 (3)Cu1xxvi—Cu1—U1i112.45 (3)
Cu4i—U1—Cu1v131.53 (2)Cu4—Cu1—U1i58.11 (2)
Cu4iii—U1—Cu1v48.33 (2)Cu3—Cu1—U1i58.06 (2)
Cu3iv—U1—Cu1v131.67 (2)Cu2—Cu1—U1i121.81 (4)
Cu3ii—U1—Cu1v48.47 (2)Snxxvii—Cu1—U1i67.00 (3)
Cu3i—U1—Cu1vi89.90 (3)Snxxviii—Cu1—U1i167.11 (5)
Cu4ii—U1—Cu1vi90.10 (3)Cu1xviii—Cu1—U1ii67.56 (3)
Cu4i—U1—Cu1vi48.33 (2)Cu1xvi—Cu1—U1ii112.64 (3)
Cu4iii—U1—Cu1vi131.53 (2)Cu1xxv—Cu1—U1ii112.45 (3)
Cu3iv—U1—Cu1vi48.47 (2)Cu1xxvi—Cu1—U1ii67.37 (3)
Cu3ii—U1—Cu1vi131.67 (2)Cu4—Cu1—U1ii58.11 (2)
Cu1v—U1—Cu1vi179.80 (6)Cu3—Cu1—U1ii58.06 (2)
Cu3i—U1—Cu1vii131.67 (2)Cu2—Cu1—U1ii121.81 (4)
Cu4ii—U1—Cu1vii48.33 (2)Snxxvii—Cu1—U1ii167.11 (5)
Cu4i—U1—Cu1vii90.10 (3)Snxxviii—Cu1—U1ii67.00 (3)
Cu4iii—U1—Cu1vii131.53 (3)U1i—Cu1—U1ii100.11 (4)
Cu3iv—U1—Cu1vii48.47 (2)Cu1xviii—Cu1—U268.02 (2)
Cu3ii—U1—Cu1vii89.90 (3)Cu1xvi—Cu1—U268.02 (2)
Cu1v—U1—Cu1vii134.921 (13)Cu1xxv—Cu1—U2111.98 (2)
Cu1vi—U1—Cu1vii45.27 (6)Cu1xxvi—Cu1—U2111.98 (2)
Cu3i—U1—Cu1viii131.67 (2)Cu4—Cu1—U2119.92 (6)
Cu4ii—U1—Cu1viii48.33 (2)Cu3—Cu1—U2170.91 (6)
Cu4i—U1—Cu1viii131.53 (3)Cu2—Cu1—U260.27 (4)
Cu4iii—U1—Cu1viii90.10 (3)Snxxvii—Cu1—U265.84 (4)
Cu3iv—U1—Cu1viii89.90 (3)Snxxviii—Cu1—U265.84 (4)
Cu3ii—U1—Cu1viii48.47 (2)U1i—Cu1—U2125.44 (3)
Cu1v—U1—Cu1viii45.27 (6)U1ii—Cu1—U2125.44 (3)
Cu1vi—U1—Cu1viii134.921 (13)Cu1xxvi—Cu2—Cu1xxv59.02 (7)
Cu1vii—U1—Cu1viii96.66 (5)Cu1xxvi—Cu2—Cu159.02 (7)
Cu3i—U1—Cu1ii131.67 (2)Cu1xxv—Cu2—Cu159.02 (7)
Cu4ii—U1—Cu1ii48.33 (2)Cu1xxvi—Cu2—Snxix145.33 (4)
Cu4i—U1—Cu1ii131.53 (3)Cu1xxv—Cu2—Snxix145.33 (4)
Cu4iii—U1—Cu1ii90.10 (3)Cu1—Cu2—Snxix145.33 (4)
Cu3iv—U1—Cu1ii89.90 (3)Cu1xxvi—Cu2—Snxxvii108.83 (8)
Cu3ii—U1—Cu1ii48.47 (2)Cu1xxv—Cu2—Snxxvii60.13 (4)
Cu1v—U1—Cu1ii96.94 (5)Cu1—Cu2—Snxxvii60.13 (4)
Cu1vi—U1—Cu1ii83.20 (3)Snxix—Cu2—Snxxvii105.83 (5)
Cu1vii—U1—Cu1ii44.89 (6)Cu1xxvi—Cu2—Snxxix60.13 (4)
Cu1viii—U1—Cu1ii79.89 (4)Cu1xxv—Cu2—Snxxix60.13 (4)
Cu3i—U1—Cu1ix131.67 (2)Cu1—Cu2—Snxxix108.83 (8)
Cu4ii—U1—Cu1ix48.33 (2)Snxix—Cu2—Snxxix105.83 (5)
Cu4i—U1—Cu1ix90.10 (3)Snxxvii—Cu2—Snxxix112.85 (4)
Cu4iii—U1—Cu1ix131.53 (3)Cu1xxvi—Cu2—Snxxviii60.13 (4)
Cu3iv—U1—Cu1ix48.47 (2)Cu1xxv—Cu2—Snxxviii108.83 (8)
Cu3ii—U1—Cu1ix89.90 (3)Cu1—Cu2—Snxxviii60.13 (4)
Cu1v—U1—Cu1ix83.20 (3)Snxix—Cu2—Snxxviii105.83 (5)
Cu1vi—U1—Cu1ix96.94 (5)Snxxvii—Cu2—Snxxviii112.85 (4)
Cu1vii—U1—Cu1ix79.89 (4)Snxxix—Cu2—Snxxviii112.85 (4)
Cu1viii—U1—Cu1ix44.89 (6)Cu1xxvi—Cu2—U2xxx72.73 (4)
Cu1ii—U1—Cu1ix96.66 (5)Cu1xxv—Cu2—U2xxx121.15 (4)
Cu2x—U2—Cu2xi111.46 (4)Cu1—Cu2—U2xxx121.15 (4)
Cu2x—U2—Cu2xii68.54 (4)Snxix—Cu2—U2xxx72.60 (4)
Cu2xi—U2—Cu2xii180.00 (8)Snxxvii—Cu2—U2xxx178.43 (9)
Cu2x—U2—Cu2180.0Snxxix—Cu2—U2xxx67.825 (12)
Cu2xi—U2—Cu268.54 (4)Snxxviii—Cu2—U2xxx67.825 (12)
Cu2xii—U2—Cu2111.46 (4)Cu1xxvi—Cu2—U2121.15 (4)
Cu2x—U2—Cu2xiii111.46 (4)Cu1xxv—Cu2—U2121.15 (4)
Cu2xi—U2—Cu2xiii111.46 (4)Cu1—Cu2—U272.73 (4)
Cu2xii—U2—Cu2xiii68.54 (4)Snxix—Cu2—U272.60 (4)
Cu2—U2—Cu2xiii68.54 (4)Snxxvii—Cu2—U267.826 (12)
Cu2x—U2—Cu2xiv68.54 (4)Snxxix—Cu2—U2178.43 (9)
Cu2xi—U2—Cu2xiv68.54 (4)Snxxviii—Cu2—U267.826 (12)
Cu2xii—U2—Cu2xiv111.46 (4)U2xxx—Cu2—U2111.46 (4)
Cu2—U2—Cu2xiv111.46 (4)Cu1xxvi—Cu2—U2xxxi121.15 (4)
Cu2xiii—U2—Cu2xiv180.00 (8)Cu1xxv—Cu2—U2xxxi72.73 (4)
Cu2x—U2—Cu1x47.00 (5)Cu1—Cu2—U2xxxi121.15 (4)
Cu2xi—U2—Cu1x86.36 (4)Snxix—Cu2—U2xxxi72.60 (4)
Cu2xii—U2—Cu1x93.64 (4)Snxxvii—Cu2—U2xxxi67.826 (12)
Cu2—U2—Cu1x133.00 (5)Snxxix—Cu2—U2xxxi67.826 (12)
Cu2xiii—U2—Cu1x86.36 (4)Snxxviii—Cu2—U2xxxi178.43 (9)
Cu2xiv—U2—Cu1x93.64 (4)U2xxx—Cu2—U2xxxi111.46 (4)
Cu2x—U2—Cu1xv86.36 (4)U2—Cu2—U2xxxi111.46 (4)
Cu2xi—U2—Cu1xv86.36 (4)Cu1—Cu3—Cu1xxxii146.94 (3)
Cu2xii—U2—Cu1xv93.64 (4)Cu1—Cu3—Cu1xxvi59.06 (6)
Cu2—U2—Cu1xv93.64 (4)Cu1xxxii—Cu3—Cu1xxvi110.63 (7)
Cu2xiii—U2—Cu1xv47.00 (5)Cu1—Cu3—Cu1xxxiii146.94 (3)
Cu2xiv—U2—Cu1xv133.00 (5)Cu1xxxii—Cu3—Cu1xxxiii59.06 (6)
Cu1x—U2—Cu1xv43.95 (5)Cu1xxvi—Cu3—Cu1xxxiii146.94 (3)
Cu2x—U2—Cu1xvi93.64 (4)Cu1—Cu3—Cu1xix110.62 (7)
Cu2xi—U2—Cu1xvi93.64 (4)Cu1xxxii—Cu3—Cu1xix59.06 (6)
Cu2xii—U2—Cu1xvi86.36 (4)Cu1xxvi—Cu3—Cu1xix146.94 (3)
Cu2—U2—Cu1xvi86.36 (4)Cu1xxxiii—Cu3—Cu1xix59.06 (6)
Cu2xiii—U2—Cu1xvi133.00 (5)Cu1—Cu3—Cu1xxv59.06 (6)
Cu2xiv—U2—Cu1xvi47.00 (5)Cu1xxxii—Cu3—Cu1xxv146.94 (3)
Cu1x—U2—Cu1xvi136.05 (5)Cu1xxvi—Cu3—Cu1xxv59.06 (6)
Cu1xv—U2—Cu1xvi180.00 (2)Cu1xxxiii—Cu3—Cu1xxv110.63 (7)
Cu2x—U2—Cu1xvii86.36 (4)Cu1xix—Cu3—Cu1xxv146.94 (3)
Cu2xi—U2—Cu1xvii47.00 (5)Cu1—Cu3—U1i73.468 (15)
Cu2xii—U2—Cu1xvii133.00 (5)Cu1xxxii—Cu3—U1i124.69 (4)
Cu2—U2—Cu1xvii93.64 (4)Cu1xxvi—Cu3—U1i124.69 (4)
Cu2xiii—U2—Cu1xvii86.36 (4)Cu1xxxiii—Cu3—U1i73.468 (15)
Cu2xiv—U2—Cu1xvii93.64 (4)Cu1xix—Cu3—U1i73.468 (15)
Cu1x—U2—Cu1xvii43.95 (5)Cu1xxv—Cu3—U1i73.468 (15)
Cu1xv—U2—Cu1xvii43.95 (5)Cu1—Cu3—Cu4xxx106.532 (15)
Cu1xvi—U2—Cu1xvii136.05 (5)Cu1xxxii—Cu3—Cu4xxx55.31 (4)
Cu2x—U2—Cu1xviii93.64 (4)Cu1xxvi—Cu3—Cu4xxx55.31 (4)
Cu2xi—U2—Cu1xviii133.00 (5)Cu1xxxiii—Cu3—Cu4xxx106.532 (15)
Cu2xii—U2—Cu1xviii47.00 (5)Cu1xix—Cu3—Cu4xxx106.532 (15)
Cu2—U2—Cu1xviii86.36 (4)Cu1xxv—Cu3—Cu4xxx106.532 (15)
Cu2xiii—U2—Cu1xviii93.64 (4)U1i—Cu3—Cu4xxx180.0
Cu2xiv—U2—Cu1xviii86.36 (4)Cu1—Cu3—Cu4xxxi106.532 (15)
Cu1x—U2—Cu1xviii136.05 (5)Cu1xxxii—Cu3—Cu4xxxi106.532 (15)
Cu1xv—U2—Cu1xviii136.05 (5)Cu1xxvi—Cu3—Cu4xxxi106.532 (15)
Cu1xvi—U2—Cu1xviii43.95 (5)Cu1xxxiii—Cu3—Cu4xxxi55.31 (4)
Cu1xvii—U2—Cu1xviii180.00 (9)Cu1xix—Cu3—Cu4xxxi106.532 (15)
Cu2x—U2—Cu1133.00 (5)Cu1xxv—Cu3—Cu4xxxi55.31 (4)
Cu2xi—U2—Cu193.64 (4)U1i—Cu3—Cu4xxxi60.0
Cu2xii—U2—Cu186.36 (4)Cu4xxx—Cu3—Cu4xxxi120.0
Cu2—U2—Cu147.00 (5)Cu1—Cu3—Cu455.31 (4)
Cu2xiii—U2—Cu193.64 (4)Cu1xxxii—Cu3—Cu4106.532 (15)
Cu2xiv—U2—Cu186.36 (4)Cu1xxvi—Cu3—Cu4106.532 (15)
Cu1x—U2—Cu1180.00 (3)Cu1xxxiii—Cu3—Cu4106.532 (15)
Cu1xv—U2—Cu1136.05 (5)Cu1xix—Cu3—Cu455.31 (4)
Cu1xvi—U2—Cu143.95 (5)Cu1xxv—Cu3—Cu4106.532 (15)
Cu1xvii—U2—Cu1136.05 (5)U1i—Cu3—Cu460.0
Cu1xviii—U2—Cu143.95 (5)Cu4xxx—Cu3—Cu4120.0
Cu2xix—Sn—Cu1xx117.05 (4)Cu4xxxi—Cu3—Cu4120.0
Cu2xix—Sn—Cu1ix117.05 (4)Cu1—Cu3—U1ii73.468 (15)
Cu1xx—Sn—Cu1ix53.11 (7)Cu1xxxii—Cu3—U1ii73.468 (15)
Cu2xix—Sn—Cu1viii117.05 (4)Cu1xxvi—Cu3—U1ii73.468 (15)
Cu1xx—Sn—Cu1viii100.94 (5)Cu1xxxiii—Cu3—U1ii124.69 (4)
Cu1ix—Sn—Cu1viii52.66 (7)Cu1xix—Cu3—U1ii73.468 (15)
Cu2xix—Sn—Cu1v117.05 (4)Cu1xxv—Cu3—U1ii124.69 (4)
Cu1xx—Sn—Cu1v125.89 (8)U1i—Cu3—U1ii120.0
Cu1ix—Sn—Cu1v100.94 (5)Cu4xxx—Cu3—U1ii60.0
Cu1viii—Sn—Cu1v53.11 (7)Cu4xxxi—Cu3—U1ii180.0
Cu2xix—Sn—Cu1xxi117.05 (4)Cu4—Cu3—U1ii60.0
Cu1xx—Sn—Cu1xxi52.66 (7)Cu1—Cu3—U1iv124.69 (4)
Cu1ix—Sn—Cu1xxi100.94 (5)Cu1xxxii—Cu3—U1iv73.468 (15)
Cu1viii—Sn—Cu1xxi125.89 (8)Cu1xxvi—Cu3—U1iv73.468 (15)
Cu1v—Sn—Cu1xxi100.94 (5)Cu1xxxiii—Cu3—U1iv73.468 (15)
Cu2xix—Sn—Cu1xxii117.05 (4)Cu1xix—Cu3—U1iv124.69 (4)
Cu1xx—Sn—Cu1xxii100.94 (5)Cu1xxv—Cu3—U1iv73.468 (15)
Cu1ix—Sn—Cu1xxii125.89 (8)U1i—Cu3—U1iv120.0
Cu1viii—Sn—Cu1xxii100.94 (5)Cu4xxx—Cu3—U1iv60.0
Cu1v—Sn—Cu1xxii52.66 (7)Cu4xxxi—Cu3—U1iv60.0
Cu1xxi—Sn—Cu1xxii53.11 (7)Cu4—Cu3—U1iv180.0
Cu2xix—Sn—Cu2xxi74.16 (5)U1ii—Cu3—U1iv120.0
Cu1xx—Sn—Cu2xxi97.01 (4)Cu1—Cu4—Cu1xix111.05 (7)
Cu1ix—Sn—Cu2xxi150.12 (4)Cu1—Cu4—Cu1xviii58.71 (6)
Cu1viii—Sn—Cu2xxi150.12 (4)Cu1xix—Cu4—Cu1xviii147.12 (3)
Cu1v—Sn—Cu2xxi97.01 (4)Cu1—Cu4—Cu1xxxiv147.12 (3)
Cu1xxi—Sn—Cu2xxi51.91 (4)Cu1xix—Cu4—Cu1xxxiv58.71 (6)
Cu1xxii—Sn—Cu2xxi51.91 (4)Cu1xviii—Cu4—Cu1xxxiv147.12 (3)
Cu2xix—Sn—Cu2viii74.17 (5)Cu1—Cu4—Cu1xvi58.71 (6)
Cu1xx—Sn—Cu2viii150.12 (4)Cu1xix—Cu4—Cu1xvi147.12 (3)
Cu1ix—Sn—Cu2viii97.01 (4)Cu1xviii—Cu4—Cu1xvi58.71 (6)
Cu1viii—Sn—Cu2viii51.91 (4)Cu1xxxiv—Cu4—Cu1xvi111.05 (7)
Cu1v—Sn—Cu2viii51.91 (4)Cu1—Cu4—Cu1xxxv147.12 (3)
Cu1xxi—Sn—Cu2viii150.12 (4)Cu1xix—Cu4—Cu1xxxv58.71 (6)
Cu1xxii—Sn—Cu2viii97.01 (4)Cu1xviii—Cu4—Cu1xxxv111.05 (7)
Cu2xxi—Sn—Cu2viii112.85 (4)Cu1xxxiv—Cu4—Cu1xxxv58.71 (6)
Cu2xix—Sn—Cu2xxiii74.17 (5)Cu1xvi—Cu4—Cu1xxxv147.12 (3)
Cu1xx—Sn—Cu2xxiii51.91 (4)Cu1—Cu4—Cu3xii106.440 (15)
Cu1ix—Sn—Cu2xxiii51.91 (4)Cu1xix—Cu4—Cu3xii106.440 (15)
Cu1viii—Sn—Cu2xxiii97.01 (4)Cu1xviii—Cu4—Cu3xii55.53 (4)
Cu1v—Sn—Cu2xxiii150.12 (4)Cu1xxxiv—Cu4—Cu3xii106.440 (15)
Cu1xxi—Sn—Cu2xxiii97.01 (4)Cu1xvi—Cu4—Cu3xii106.440 (15)
Cu1xxii—Sn—Cu2xxiii150.12 (4)Cu1xxxv—Cu4—Cu3xii55.53 (4)
Cu2xxi—Sn—Cu2xxiii112.85 (4)Cu1—Cu4—U1i73.560 (15)
Cu2viii—Sn—Cu2xxiii112.85 (4)Cu1xix—Cu4—U1i73.560 (15)
Cu2xix—Sn—U2xxiv59.16 (2)Cu1xviii—Cu4—U1i124.47 (4)
Cu1xx—Sn—U2xxiv153.44 (3)Cu1xxxiv—Cu4—U1i73.560 (15)
Cu1ix—Sn—U2xxiv153.44 (3)Cu1xvi—Cu4—U1i73.560 (15)
Cu1viii—Sn—U2xxiv103.59 (3)Cu1xxxv—Cu4—U1i124.47 (4)
Cu1v—Sn—U2xxiv64.53 (3)Cu3xii—Cu4—U1i180.0
Cu1xxi—Sn—U2xxiv103.59 (3)Cu1—Cu4—U1iii124.47 (4)
Cu1xxii—Sn—U2xxiv64.53 (3)Cu1xix—Cu4—U1iii124.47 (4)
Cu2xxi—Sn—U2xxiv56.43 (2)Cu1xviii—Cu4—U1iii73.560 (15)
Cu2viii—Sn—U2xxiv56.43 (2)Cu1xxxiv—Cu4—U1iii73.560 (15)
Cu2xxiii—Sn—U2xxiv133.33 (6)Cu1xvi—Cu4—U1iii73.560 (15)
Cu2xix—Sn—U2viii59.16 (2)Cu1xxxv—Cu4—U1iii73.560 (15)
Cu1xx—Sn—U2viii103.59 (3)Cu3xii—Cu4—U1iii60.0
Cu1ix—Sn—U2viii64.53 (3)U1i—Cu4—U1iii120.0
Cu1viii—Sn—U2viii64.53 (3)Cu1—Cu4—Cu355.53 (4)
Cu1v—Sn—U2viii103.59 (3)Cu1xix—Cu4—Cu355.53 (4)
Cu1xxi—Sn—U2viii153.44 (4)Cu1xviii—Cu4—Cu3106.440 (15)
Cu1xxii—Sn—U2viii153.44 (4)Cu1xxxiv—Cu4—Cu3106.440 (15)
Cu2xxi—Sn—U2viii133.33 (6)Cu1xvi—Cu4—Cu3106.440 (15)
Cu2viii—Sn—U2viii56.43 (2)Cu1xxxv—Cu4—Cu3106.440 (15)
Cu2xxiii—Sn—U2viii56.43 (2)Cu3xii—Cu4—Cu3120.0
U2xxiv—Sn—U2viii96.08 (3)U1i—Cu4—Cu360.0
Cu1xviii—Cu1—Cu1xvi60.0U1iii—Cu4—Cu3180.0
Cu1xviii—Cu1—Cu1xxv179.997 (2)Cu1—Cu4—Cu3xiv106.440 (15)
Cu1xvi—Cu1—Cu1xxv120.0Cu1xix—Cu4—Cu3xiv106.440 (15)
Cu1xviii—Cu1—Cu1xxvi120.0Cu1xviii—Cu4—Cu3xiv106.440 (15)
Cu1xvi—Cu1—Cu1xxvi179.997 (2)Cu1xxxiv—Cu4—Cu3xiv55.53 (4)
Cu1xxv—Cu1—Cu1xxvi60.0Cu1xvi—Cu4—Cu3xiv55.53 (4)
Cu1xviii—Cu1—Cu460.65 (3)Cu1xxxv—Cu4—Cu3xiv106.440 (15)
Cu1xvi—Cu1—Cu460.65 (3)Cu3xii—Cu4—Cu3xiv120.0
Cu1xxv—Cu1—Cu4119.35 (3)U1i—Cu4—Cu3xiv60.0
Cu1xxvi—Cu1—Cu4119.35 (3)U1iii—Cu4—Cu3xiv60.0
Cu1xviii—Cu1—Cu3119.53 (3)Cu3—Cu4—Cu3xiv120.0
Cu1xvi—Cu1—Cu3119.53 (3)Cu1—Cu4—U1ii73.560 (15)
Cu1xxv—Cu1—Cu360.47 (3)Cu1xix—Cu4—U1ii73.560 (15)
Cu1xxvi—Cu1—Cu360.47 (3)Cu1xviii—Cu4—U1ii73.560 (15)
Cu4—Cu1—Cu369.16 (4)Cu1xxxiv—Cu4—U1ii124.47 (4)
Cu1xviii—Cu1—Cu2119.51 (4)Cu1xvi—Cu4—U1ii124.47 (4)
Cu1xvi—Cu1—Cu2119.51 (4)Cu1xxxv—Cu4—U1ii73.560 (15)
Cu1xxv—Cu1—Cu260.49 (4)Cu3xii—Cu4—U1ii60.0
Cu1xxvi—Cu1—Cu260.49 (4)U1i—Cu4—U1ii120.0
Cu4—Cu1—Cu2179.81 (7)U1iii—Cu4—U1ii120.0
Cu3—Cu1—Cu2110.65 (7)Cu3—Cu4—U1ii60.0
Cu1xviii—Cu1—Snxxvii116.56 (3)Cu3xiv—Cu4—U1ii180.0
Cu1xvi—Cu1—Snxxvii63.67 (3)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x, y+1, z+1; (iii) x, y, z+1; (iv) x+1, y+2, z+1; (v) xy, x, z+1/2; (vi) xy+1, x+1, z+1; (vii) y, x+y+1, z+1; (viii) x, y+1, z+1/2; (ix) y, x+y+1, z+1/2; (x) x, y, z; (xi) x+1, y+1, z; (xii) x1, y1, z; (xiii) x, y+1, z; (xiv) x, y1, z; (xv) xy, x, z; (xvi) x+y, x, z; (xvii) y, x+y, z; (xviii) y, xy, z; (xix) x, y, z+1/2; (xx) xy+1, x+1, z+1/2; (xxi) x+1, y+1, z+1/2; (xxii) y, x+y, z+1/2; (xxiii) x+1, y+2, z+1/2; (xxiv) x, y, z+1/2; (xxv) y+1, xy+1, z; (xxvi) x+y, x+1, z; (xxvii) x+1, y+1, z1/2; (xxviii) x, y+1, z1/2; (xxix) x+1, y+2, z1/2; (xxx) x, y+1, z; (xxxi) x+1, y+1, z; (xxxii) x+y, x+1, z+1/2; (xxxiii) y+1, xy+1, z+1/2; (xxxiv) x+y, x, z+1/2; (xxxv) y, xy, z+1/2.
 

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