Uranium and aluminium order–disorder in U_1−xPt₂Al_7−6x [x = 0.33 (1)]

The new ternary title compound, uranium diplatinum penta­aluminium, has been synthesized from a reaction of the corresponding elements at 1273 K. It crystallizes in the rare hexa­gonal Ce₂Pt₆Ga₁₅ structure type, where one-third of the U atoms are randomly replaced by triangles of Al atoms. Possible ordered models in hexa­gonal and ortho-hexa­gonal supercells were tried without success. All the atoms occupy special positions: U (m2), Pt (3m.), and Al (mm2, 3m. and 3m.).

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean [sigma](t-Al) = 0.002 Å
• Disorder in main residue
• R factor = 0.020
• wR factor = 0.039
• Data-to-parameter ratio = 8.1

checkCIF/PLATON results

No syntax errors found



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 ............       2.00 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       8.11
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc.

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:Al5 Pt2 U0.67
            Atom count from the _atom_site data:  Al5.047 Pt2 U0.67
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G ALERT: check formula stoichiometry or atom site occupancies.
           From the CIF: _cell_formula_units_Z    2
           From the CIF: _chemical_formula_sum  Al5 Pt2 U0.67
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           Al        10.00     10.09   -0.09
           Pt         4.00      4.00    0.00
           U          1.34      1.34    0.00

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

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 (Sheldrick, 2001); molecular graphics: XP in SHELXTL; software used to prepare material for publication: SHELXL97.

uranium diplatinum pentaaluminium

Crystal data

U0.67Pt2Al5	Dx = 8.752 Mg m^−3
Mr = 684.56	Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P63/mmc	Cell parameters from 2248 reflections
Hall symbol: -P 6c 2c	θ = 2.5–28.1°
a = 4.2929 (8) Å	µ = 75.26 mm^−1
c = 16.276 (6) Å	T = 120 K
V = 259.77 (12) Å^3	Irregular, grey
Z = 2	0.06 × 0.04 × 0.03 mm
F(000) = 565

Data collection

Bruker SMART APEX diffractometer	154 independent reflections
Radiation source: fine-focus sealed tube	135 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.057
Detector resolution: 8.3 pixels mm^-1	θmax = 28.1°, θmin = 2.5°
ω scans	h = −5→5
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	k = −5→5
Tmin = 0.047, Tmax = 0.105	l = −19→20
2248 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.020	w = 1/[σ^2(Fo^2) + (0.0195P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.039	(Δ/σ)max < 0.001
S = 1.09	Δρmax = 1.00 e Å^−3
154 reflections	Δρmin = −1.50 e Å^−3
19 parameters	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0038 (4)

Special details

Experimental. A crystal was cut to suitable for data-collection size and mounted on a glass fiber using Paratone-N oil. 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.

Because the crystals were serendipitously obtained from a reaction with Zn-flux, SEM-EDX elemental microanalysis was performed to confrim the composition. For that purpose, crystals of U_{1 - x}Pt₂Al_7–6x (x = 0.33 (1)) were mounted onto carbon tape and placed in a Jeol 7400 F electron microscope equiped with INCA-OXFORD energy dispersive analyzer. The analysis based on 6 spots gave a composition in atomic percents as follows U:Pt:Al=9:28:63, very close to the theoretical 9:27:63 ratio.

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
U	0.3333	0.6667	0.2500	0.0126 (4)	0.670 (4)
Pt	0.3333	0.6667	0.60912 (4)	0.0111 (3)
Al1	0.5350 (14)	0.070 (3)	0.2500	0.018 (3)	0.349 (14)
Al2	0.3333	0.6667	0.0457 (3)	0.0117 (10)
Al3	0.0000	0.0000	0.1355 (3)	0.0114 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
U	0.0133 (5)	0.0133 (5)	0.0111 (7)	0.0066 (3)	0.000	0.000
Pt	0.0113 (3)	0.0113 (3)	0.0107 (4)	0.00566 (14)	0.000	0.000
Al1	0.021 (5)	0.018 (6)	0.014 (6)	0.009 (3)	0.000	0.000
Al2	0.0109 (15)	0.0109 (15)	0.013 (2)	0.0054 (7)	0.000	0.000
Al3	0.0119 (13)	0.0119 (13)	0.010 (2)	0.0060 (6)	0.000	0.000

Geometric parameters (Å, º)

U—Al1^i	1.500 (10)	Al1—Pt^xx	2.493 (4)
U—Al1^ii	1.500 (10)	Al1—Al1^xxi	2.598 (18)
U—Al1^iii	1.500 (10)	Al1—Al1^xxii	2.598 (18)
U—Al1^iv	3.087 (8)	Al1—Al3	2.855 (3)
U—Al1^v	3.087 (8)	Al1—Al3^xxiii	2.855 (3)
U—Al1^vi	3.087 (8)	Al1—Al3^xxiv	2.855 (3)
U—Al1^vii	3.087 (8)	Al1—Al3^xvi	2.855 (3)
U—Al1	3.087 (7)	Al1—U^xxiii	3.087 (7)
U—Al1^viii	3.087 (7)	Al2—Pt^xvi	2.521 (5)
U—Al3	3.101 (3)	Al2—Pt^xx	2.685 (2)
U—Al3^ii	3.101 (3)	Al2—Pt^xxv	2.685 (2)
U—Al3^ix	3.101 (3)	Al2—Pt^xxvi	2.685 (2)
Pt—Al1^x	2.493 (4)	Al2—Al3^ii	2.877 (4)
Pt—Al1^xi	2.493 (4)	Al2—Al3^ix	2.877 (4)
Pt—Al1^xii	2.493 (4)	Al2—Al3	2.877 (4)
Pt—Al3^xiii	2.5154 (9)	Al2—Al2^xxvii	2.891 (5)
Pt—Al3^xiv	2.5154 (10)	Al2—Al2^xxviii	2.891 (5)
Pt—Al3^xv	2.5154 (10)	Al2—Al2^xxix	2.891 (5)
Pt—Al2^xvi	2.521 (5)	Al3—Pt^xxx	2.5154 (10)
Pt—Al2^xiv	2.685 (2)	Al3—Pt^xx	2.5154 (10)
Pt—Al2^xiii	2.685 (2)	Al3—Pt^xxvi	2.5154 (9)
Pt—Al2^xvii	2.685 (2)	Al3—Al1^i	2.855 (3)
Pt—U^xi	3.3765 (8)	Al3—Al1^vii	2.855 (3)
Pt—U^xviii	3.3765 (8)	Al3—Al1^iii	2.855 (3)
Al1—U^xix	1.500 (10)	Al3—Al1^xxxi	2.855 (3)
Al1—Al1^iii	1.695 (18)	Al3—Al1^xxi	2.855 (3)
Al1—Al1^viii	1.695 (18)	Al3—Al2^xxxii	2.877 (4)
Al1—Pt^xi	2.493 (4)	Al3—Al2^xix	2.877 (4)
Al1^i—U—Al1^ii	120.001 (2)	U^xix—Al1—Al3^xxiii	84.8 (2)
Al1^i—U—Al1^iii	119.999 (1)	Al1^iii—Al1—Al3^xxiii	117.1 (2)
Al1^ii—U—Al1^iii	119.999 (2)	Al1^viii—Al1—Al3^xxiii	72.73 (19)
Al1^i—U—Al1^iv	104.06 (13)	Pt^xi—Al1—Al3^xxiii	129.52 (15)
Al1^ii—U—Al1^iv	15.94 (14)	Pt^xx—Al1—Al3^xxiii	55.62 (7)
Al1^iii—U—Al1^iv	135.94 (14)	Al1^xxi—Al1—Al3^xxiii	107.27 (19)
Al1^i—U—Al1^v	15.94 (13)	Al1^xxii—Al1—Al3^xxiii	62.9 (2)
Al1^ii—U—Al1^v	104.06 (13)	Al3—Al1—Al3^xxiii	97.52 (15)
Al1^iii—U—Al1^v	135.94 (14)	U^xix—Al1—Al3^xxiv	84.8 (2)
Al1^iv—U—Al1^v	88.1 (3)	Al1^iii—Al1—Al3^xxiv	117.1 (2)
Al1^i—U—Al1^vi	135.94 (14)	Al1^viii—Al1—Al3^xxiv	72.73 (19)
Al1^ii—U—Al1^vi	15.94 (13)	Pt^xi—Al1—Al3^xxiv	55.62 (7)
Al1^iii—U—Al1^vi	104.06 (14)	Pt^xx—Al1—Al3^xxiv	129.52 (15)
Al1^iv—U—Al1^vi	31.9 (3)	Al1^xxi—Al1—Al3^xxiv	107.27 (19)
Al1^v—U—Al1^vi	120.001 (2)	Al1^xxii—Al1—Al3^xxiv	62.93 (19)
Al1^i—U—Al1^vii	15.94 (13)	Al3—Al1—Al3^xxiv	169.5 (4)
Al1^ii—U—Al1^vii	135.94 (14)	Al3^xxiii—Al1—Al3^xxiv	81.52 (15)
Al1^iii—U—Al1^vii	104.06 (14)	U^xix—Al1—Al3^xvi	84.8 (2)
Al1^iv—U—Al1^vii	120.001 (1)	Al1^iii—Al1—Al3^xvi	72.73 (19)
Al1^v—U—Al1^vii	31.9 (3)	Al1^viii—Al1—Al3^xvi	117.1 (2)
Al1^vi—U—Al1^vii	151.9 (3)	Pt^xi—Al1—Al3^xvi	55.62 (7)
Al1^i—U—Al1	104.06 (14)	Pt^xx—Al1—Al3^xvi	129.52 (15)
Al1^ii—U—Al1	135.94 (14)	Al1^xxi—Al1—Al3^xvi	62.9 (2)
Al1^iii—U—Al1	15.94 (14)	Al1^xxii—Al1—Al3^xvi	107.27 (19)
Al1^iv—U—Al1	151.9 (3)	Al3—Al1—Al3^xvi	81.52 (15)
Al1^v—U—Al1	120.000 (3)	Al3^xxiii—Al1—Al3^xvi	169.5 (4)
Al1^vi—U—Al1	120.000 (3)	Al3^xxiv—Al1—Al3^xvi	97.52 (15)
Al1^vii—U—Al1	88.1 (3)	U^xix—Al1—U^xxiii	135.94 (13)
Al1^i—U—Al1^viii	135.94 (14)	Al1^iii—Al1—U^xxiii	74.06 (13)
Al1^ii—U—Al1^viii	104.06 (14)	Al1^viii—Al1—U^xxiii	14.06 (13)
Al1^iii—U—Al1^viii	15.94 (14)	Pt^xi—Al1—U^xxiii	73.61 (19)
Al1^iv—U—Al1^viii	120.000 (4)	Pt^xx—Al1—U^xxiii	73.62 (19)
Al1^v—U—Al1^viii	151.9 (3)	Al1^xxi—Al1—U^xxiii	165.94 (13)
Al1^vi—U—Al1^viii	88.1 (3)	Al1^xxii—Al1—U^xxiii	105.94 (13)
Al1^vii—U—Al1^viii	120.000 (2)	Al3—Al1—U^xxiii	126.1 (3)
Al1—U—Al1^viii	31.9 (3)	Al3^xxiii—Al1—U^xxiii	62.79 (9)
Al1^i—U—Al3	66.44 (2)	Al3^xxiv—Al1—U^xxiii	62.78 (9)
Al1^ii—U—Al3	143.06 (7)	Al3^xvi—Al1—U^xxiii	126.1 (3)
Al1^iii—U—Al3	66.45 (2)	Pt^xvi—Al2—Pt^xx	112.60 (10)
Al1^iv—U—Al3	140.22 (8)	Pt^xvi—Al2—Pt^xxv	112.60 (10)
Al1^v—U—Al3	78.80 (11)	Pt^xx—Al2—Pt^xxv	106.17 (11)
Al1^vi—U—Al3	140.22 (8)	Pt^xvi—Al2—Pt^xxvi	112.60 (10)
Al1^vii—U—Al3	54.95 (10)	Pt^xx—Al2—Pt^xxvi	106.17 (11)
Al1—U—Al3	54.95 (10)	Pt^xxv—Al2—Pt^xxvi	106.17 (11)
Al1^viii—U—Al3	78.80 (11)	Pt^xvi—Al2—Al3^ii	120.52 (12)
Al1^i—U—Al3^ii	66.45 (2)	Pt^xx—Al2—Al3^ii	126.9 (2)
Al1^ii—U—Al3^ii	66.45 (2)	Pt^xxv—Al2—Al3^ii	53.64 (5)
Al1^iii—U—Al3^ii	143.06 (7)	Pt^xxvi—Al2—Al3^ii	53.64 (5)
Al1^iv—U—Al3^ii	54.95 (10)	Pt^xvi—Al2—Al3^ix	120.52 (12)
Al1^v—U—Al3^ii	54.95 (10)	Pt^xx—Al2—Al3^ix	53.64 (5)
Al1^vi—U—Al3^ii	78.80 (11)	Pt^xxv—Al2—Al3^ix	53.65 (5)
Al1^vii—U—Al3^ii	78.80 (11)	Pt^xxvi—Al2—Al3^ix	126.9 (2)
Al1—U—Al3^ii	140.22 (8)	Al3^ii—Al2—Al3^ix	96.50 (16)
Al1^viii—U—Al3^ii	140.22 (8)	Pt^xvi—Al2—Al3	120.52 (12)
Al3—U—Al3^ii	87.60 (11)	Pt^xx—Al2—Al3	53.64 (5)
Al1^i—U—Al3^ix	143.06 (7)	Pt^xxv—Al2—Al3	126.9 (2)
Al1^ii—U—Al3^ix	66.45 (2)	Pt^xxvi—Al2—Al3	53.65 (5)
Al1^iii—U—Al3^ix	66.45 (2)	Al3^ii—Al2—Al3	96.50 (16)
Al1^iv—U—Al3^ix	78.80 (11)	Al3^ix—Al2—Al3	96.50 (16)
Al1^v—U—Al3^ix	140.22 (8)	Pt^xvi—Al2—Al2^xxvii	59.01 (17)
Al1^vi—U—Al3^ix	54.95 (10)	Pt^xx—Al2—Al2^xxvii	53.59 (7)
Al1^vii—U—Al3^ix	140.22 (8)	Pt^xxv—Al2—Al2^xxvii	126.41 (2)
Al1—U—Al3^ix	78.80 (11)	Pt^xxvi—Al2—Al2^xxvii	126.41 (2)
Al1^viii—U—Al3^ix	54.95 (10)	Al3^ii—Al2—Al2^xxvii	179.5 (3)
Al3—U—Al3^ix	87.60 (11)	Al3^ix—Al2—Al2^xxvii	83.81 (8)
Al3^ii—U—Al3^ix	87.60 (11)	Al3—Al2—Al2^xxvii	83.81 (8)
Al1^x—Pt—Al1^xi	39.8 (4)	Pt^xvi—Al2—Al2^xxviii	59.01 (17)
Al1^x—Pt—Al1^xii	39.8 (4)	Pt^xx—Al2—Al2^xxviii	126.41 (2)
Al1^xi—Pt—Al1^xii	39.8 (4)	Pt^xxv—Al2—Al2^xxviii	126.41 (2)
Al1^x—Pt—Al3^xiii	103.3 (2)	Pt^xxvi—Al2—Al2^xxviii	53.59 (7)
Al1^xi—Pt—Al3^xiii	69.49 (14)	Al3^ii—Al2—Al2^xxviii	83.81 (8)
Al1^xii—Pt—Al3^xiii	69.49 (13)	Al3^ix—Al2—Al2^xxviii	179.5 (3)
Al1^x—Pt—Al3^xiv	69.49 (13)	Al3—Al2—Al2^xxviii	83.81 (8)
Al1^xi—Pt—Al3^xiv	69.49 (13)	Al2^xxvii—Al2—Al2^xxviii	95.9 (2)
Al1^xii—Pt—Al3^xiv	103.3 (3)	Pt^xvi—Al2—Al2^xxix	59.01 (17)
Al3^xiii—Pt—Al3^xiv	117.15 (6)	Pt^xx—Al2—Al2^xxix	126.41 (2)
Al1^x—Pt—Al3^xv	69.49 (13)	Pt^xxv—Al2—Al2^xxix	53.59 (7)
Al1^xi—Pt—Al3^xv	103.3 (3)	Pt^xxvi—Al2—Al2^xxix	126.41 (2)
Al1^xii—Pt—Al3^xv	69.49 (13)	Al3^ii—Al2—Al2^xxix	83.81 (8)
Al3^xiii—Pt—Al3^xv	117.15 (6)	Al3^ix—Al2—Al2^xxix	83.81 (8)
Al3^xiv—Pt—Al3^xv	117.15 (6)	Al3—Al2—Al2^xxix	179.5 (3)
Al1^x—Pt—Al2^xvi	156.9 (2)	Al2^xxvii—Al2—Al2^xxix	95.9 (2)
Al1^xi—Pt—Al2^xvi	156.9 (2)	Al2^xxviii—Al2—Al2^xxix	95.9 (2)
Al1^xii—Pt—Al2^xvi	156.9 (2)	Pt^xvi—Al2—U	180.0
Al3^xiii—Pt—Al2^xvi	99.83 (11)	Pt^xx—Al2—U	67.40 (10)
Al3^xiv—Pt—Al2^xvi	99.83 (11)	Pt^xxv—Al2—U	67.40 (10)
Al3^xv—Pt—Al2^xvi	99.83 (11)	Pt^xxvi—Al2—U	67.40 (10)
Al1^x—Pt—Al2^xiv	89.5 (2)	Al3^ii—Al2—U	59.48 (12)
Al1^xi—Pt—Al2^xiv	122.32 (11)	Al3^ix—Al2—U	59.48 (12)
Al1^xii—Pt—Al2^xiv	122.32 (11)	Al3—Al2—U	59.48 (12)
Al3^xiii—Pt—Al2^xiv	167.23 (15)	Al2^xxvii—Al2—U	120.99 (17)
Al3^xiv—Pt—Al2^xiv	67.09 (7)	Al2^xxviii—Al2—U	120.99 (17)
Al3^xv—Pt—Al2^xiv	67.09 (7)	Al2^xxix—Al2—U	120.99 (17)
Al2^xvi—Pt—Al2^xiv	67.40 (10)	Pt^xxx—Al3—Pt^xx	117.15 (6)
Al1^x—Pt—Al2^xiii	122.32 (11)	Pt^xxx—Al3—Pt^xxvi	117.15 (6)
Al1^xi—Pt—Al2^xiii	122.32 (11)	Pt^xx—Al3—Pt^xxvi	117.15 (6)
Al1^xii—Pt—Al2^xiii	89.5 (2)	Pt^xxx—Al3—Al1^i	135.1 (2)
Al3^xiii—Pt—Al2^xiii	67.09 (7)	Pt^xx—Al3—Al1^i	101.6 (2)
Al3^xiv—Pt—Al2^xiii	167.23 (15)	Pt^xxvi—Al3—Al1^i	54.89 (12)
Al3^xv—Pt—Al2^xiii	67.09 (7)	Pt^xxx—Al3—Al1^vii	101.6 (2)
Al2^xvi—Pt—Al2^xiii	67.40 (10)	Pt^xx—Al3—Al1^vii	135.1 (2)
Al2^xiv—Pt—Al2^xiii	106.17 (11)	Pt^xxvi—Al3—Al1^vii	54.89 (12)
Al1^x—Pt—Al2^xvii	122.32 (11)	Al1^i—Al3—Al1^vii	34.5 (4)
Al1^xi—Pt—Al2^xvii	89.5 (2)	Pt^xxx—Al3—Al1	101.6 (2)
Al1^xii—Pt—Al2^xvii	122.32 (11)	Pt^xx—Al3—Al1	54.89 (12)
Al3^xiii—Pt—Al2^xvii	67.09 (7)	Pt^xxvi—Al3—Al1	135.1 (2)
Al3^xiv—Pt—Al2^xvii	67.09 (7)	Al1^i—Al3—Al1	81.99 (12)
Al3^xv—Pt—Al2^xvii	167.23 (15)	Al1^vii—Al3—Al1	97.52 (15)
Al2^xvi—Pt—Al2^xvii	67.40 (10)	Pt^xxx—Al3—Al1^iii	135.1 (2)
Al2^xiv—Pt—Al2^xvii	106.17 (11)	Pt^xx—Al3—Al1^iii	54.89 (12)
Al2^xiii—Pt—Al2^xvii	106.17 (11)	Pt^xxvi—Al3—Al1^iii	101.6 (2)
Al1^x—Pt—U^xi	24.1 (2)	Al1^i—Al3—Al1^iii	54.1 (4)
Al1^xi—Pt—U^xi	61.28 (15)	Al1^vii—Al3—Al1^iii	81.99 (12)
Al1^xii—Pt—U^xi	61.28 (15)	Al1—Al3—Al1^iii	34.5 (4)
Al3^xiii—Pt—U^xi	127.40 (11)	Pt^xxx—Al3—Al1^xxxi	54.89 (12)
Al3^xiv—Pt—U^xi	61.48 (8)	Pt^xx—Al3—Al1^xxxi	135.1 (2)
Al3^xv—Pt—U^xi	61.48 (8)	Pt^xxvi—Al3—Al1^xxxi	101.6 (2)
Al2^xvi—Pt—U^xi	132.773 (14)	Al1^i—Al3—Al1^xxxi	81.99 (12)
Al2^xiv—Pt—U^xi	65.37 (10)	Al1^vii—Al3—Al1^xxxi	54.1 (4)
Al2^xiii—Pt—U^xi	126.86 (6)	Al1—Al3—Al1^xxxi	81.99 (12)
Al2^xvii—Pt—U^xi	126.86 (6)	Al1^iii—Al3—Al1^xxxi	97.52 (15)
Al1^x—Pt—U^xviii	61.28 (15)	Pt^xxx—Al3—Al1^xxi	54.89 (12)
Al1^xi—Pt—U^xviii	24.1 (2)	Pt^xx—Al3—Al1^xxi	101.6 (2)
Al1^xii—Pt—U^xviii	61.28 (16)	Pt^xxvi—Al3—Al1^xxi	135.1 (2)
Al3^xiii—Pt—U^xviii	61.48 (8)	Al1^i—Al3—Al1^xxi	97.52 (15)
Al3^xiv—Pt—U^xviii	61.48 (8)	Al1^vii—Al3—Al1^xxi	81.99 (12)
Al3^xv—Pt—U^xviii	127.40 (11)	Al1—Al3—Al1^xxi	54.1 (4)
Al2^xvi—Pt—U^xviii	132.774 (14)	Al1^iii—Al3—Al1^xxi	81.99 (12)
Al2^xiv—Pt—U^xviii	126.86 (6)	Al1^xxxi—Al3—Al1^xxi	34.5 (4)
Al2^xiii—Pt—U^xviii	126.85 (6)	Pt^xxx—Al3—Al2^xxxii	59.26 (5)
Al2^xvii—Pt—U^xviii	65.37 (10)	Pt^xx—Al3—Al2^xxxii	139.7 (2)
U^xi—Pt—U^xviii	78.94 (2)	Pt^xxvi—Al3—Al2^xxxii	59.26 (5)
U^xix—Al1—Al1^iii	150.0	Al1^i—Al3—Al2^xxxii	104.6 (2)
U^xix—Al1—Al1^viii	149.999 (1)	Al1^vii—Al3—Al2^xxxii	79.04 (12)
Al1^iii—Al1—Al1^viii	60.000 (1)	Al1—Al3—Al2^xxxii	158.7 (2)
U^xix—Al1—Pt^xi	113.1 (2)	Al1^iii—Al3—Al2^xxxii	158.7 (2)
Al1^iii—Al1—Pt^xi	70.12 (19)	Al1^xxxi—Al3—Al2^xxxii	79.04 (12)
Al1^viii—Al1—Pt^xi	70.12 (18)	Al1^xxi—Al3—Al2^xxxii	104.6 (2)
U^xix—Al1—Pt^xx	113.1 (2)	Pt^xxx—Al3—Al2	139.7 (2)
Al1^iii—Al1—Pt^xx	70.13 (19)	Pt^xx—Al3—Al2	59.26 (5)
Al1^viii—Al1—Pt^xx	70.13 (18)	Pt^xxvi—Al3—Al2	59.26 (5)
Pt^xi—Al1—Pt^xx	133.8 (4)	Al1^i—Al3—Al2	79.04 (13)
U^xix—Al1—Al1^xxi	30.000 (1)	Al1^vii—Al3—Al2	104.6 (2)
Al1^iii—Al1—Al1^xxi	120.001 (2)	Al1—Al3—Al2	104.6 (2)
Al1^viii—Al1—Al1^xxi	179.999 (1)	Al1^iii—Al3—Al2	79.04 (12)
Pt^xi—Al1—Al1^xxi	109.88 (19)	Al1^xxxi—Al3—Al2	158.7 (2)
Pt^xx—Al1—Al1^xxi	109.88 (19)	Al1^xxi—Al3—Al2	158.7 (2)
U^xix—Al1—Al1^xxii	30.0	Al2^xxxii—Al3—Al2	96.50 (16)
Al1^iii—Al1—Al1^xxii	179.999 (1)	Pt^xxx—Al3—Al2^xix	59.26 (5)
Al1^viii—Al1—Al1^xxii	120.0	Pt^xx—Al3—Al2^xix	59.26 (5)
Pt^xi—Al1—Al1^xxii	109.88 (19)	Pt^xxvi—Al3—Al2^xix	139.7 (2)
Pt^xx—Al1—Al1^xxii	109.88 (19)	Al1^i—Al3—Al2^xix	158.7 (2)
Al1^xxi—Al1—Al1^xxii	60.0	Al1^vii—Al3—Al2^xix	158.7 (2)
U^xix—Al1—Al3	84.8 (2)	Al1—Al3—Al2^xix	79.04 (12)
Al1^iii—Al1—Al3	72.73 (19)	Al1^iii—Al3—Al2^xix	104.6 (2)
Al1^viii—Al1—Al3	117.07 (19)	Al1^xxxi—Al3—Al2^xix	104.6 (2)
Pt^xi—Al1—Al3	129.52 (15)	Al1^xxi—Al3—Al2^xix	79.04 (12)
Pt^xx—Al1—Al3	55.62 (7)	Al2^xxxii—Al3—Al2^xix	96.50 (16)
Al1^xxi—Al1—Al3	62.9 (2)	Al2—Al3—Al2^xix	96.50 (16)
Al1^xxii—Al1—Al3	107.27 (19)

Symmetry codes: (i) −y, x−y, z; (ii) x, y+1, z; (iii) −x+y+1, −x+1, z; (iv) −x+y+1, −x+2, z; (v) −x+y, −x+1, z; (vi) −y+1, x−y+1, z; (vii) x−1, y, z; (viii) −y+1, x−y, z; (ix) x+1, y+1, z; (x) x−y, x, −z+1; (xi) −x+1, −y+1, −z+1; (xii) y, −x+y+1, −z+1; (xiii) −x, −y+1, z+1/2; (xiv) −x+1, −y+1, z+1/2; (xv) −x, −y, z+1/2; (xvi) x, y, −z+1/2; (xvii) −x+1, −y+2, z+1/2; (xviii) −x+1, −y+2, −z+1; (xix) x, y−1, z; (xx) −x+1, −y+1, z−1/2; (xxi) −y, x−y−1, z; (xxii) −x+y+1, −x, z; (xxiii) x+1, y, z; (xxiv) x+1, y, −z+1/2; (xxv) −x+1, −y+2, z−1/2; (xxvi) −x, −y+1, z−1/2; (xxvii) −x+1, −y+1, −z; (xxviii) −x, −y+1, −z; (xxix) −x+1, −y+2, −z; (xxx) −x, −y, z−1/2; (xxxi) −x+y, −x, z; (xxxii) x−1, y−1, z.