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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 (\=6m2), Pt (3m.), and Al (mm2, 3m. and 3m.).

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806007288/hb2014sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806007288/hb2014Isup2.hkl
Contains datablock I

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

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

uranium diplatinum pentaaluminium top
Crystal data top
U0.67Pt2Al5Dx = 8.752 Mg m3
Mr = 684.56Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P63/mmcCell parameters from 2248 reflections
Hall symbol: -P 6c 2cθ = 2.5–28.1°
a = 4.2929 (8) ŵ = 75.26 mm1
c = 16.276 (6) ÅT = 120 K
V = 259.77 (12) Å3Irregular, grey
Z = 20.06 × 0.04 × 0.03 mm
F(000) = 565
Data collection top
Bruker SMART APEX
diffractometer
154 independent reflections
Radiation source: fine-focus sealed tube135 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.057
Detector resolution: 8.3 pixels mm-1θmax = 28.1°, θmin = 2.5°
ω scansh = 55
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
k = 55
Tmin = 0.047, Tmax = 0.105l = 1920
2248 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)] = 0.020 w = 1/[σ2(Fo2) + (0.0195P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.039(Δ/σ)max < 0.001
S = 1.09Δρmax = 1.00 e Å3
154 reflectionsΔρmin = 1.50 e Å3
19 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.0038 (4)
Special details top

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 U1 - xPt2Al7–6x (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 &gt; 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)
U0.33330.66670.25000.0126 (4)0.670 (4)
Pt0.33330.66670.60912 (4)0.0111 (3)
Al10.5350 (14)0.070 (3)0.25000.018 (3)0.349 (14)
Al20.33330.66670.0457 (3)0.0117 (10)
Al30.00000.00000.1355 (3)0.0114 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
U0.0133 (5)0.0133 (5)0.0111 (7)0.0066 (3)0.0000.000
Pt0.0113 (3)0.0113 (3)0.0107 (4)0.00566 (14)0.0000.000
Al10.021 (5)0.018 (6)0.014 (6)0.009 (3)0.0000.000
Al20.0109 (15)0.0109 (15)0.013 (2)0.0054 (7)0.0000.000
Al30.0119 (13)0.0119 (13)0.010 (2)0.0060 (6)0.0000.000
Geometric parameters (Å, º) top
U—Al1i1.500 (10)Al1—Ptxx2.493 (4)
U—Al1ii1.500 (10)Al1—Al1xxi2.598 (18)
U—Al1iii1.500 (10)Al1—Al1xxii2.598 (18)
U—Al1iv3.087 (8)Al1—Al32.855 (3)
U—Al1v3.087 (8)Al1—Al3xxiii2.855 (3)
U—Al1vi3.087 (8)Al1—Al3xxiv2.855 (3)
U—Al1vii3.087 (8)Al1—Al3xvi2.855 (3)
U—Al13.087 (7)Al1—Uxxiii3.087 (7)
U—Al1viii3.087 (7)Al2—Ptxvi2.521 (5)
U—Al33.101 (3)Al2—Ptxx2.685 (2)
U—Al3ii3.101 (3)Al2—Ptxxv2.685 (2)
U—Al3ix3.101 (3)Al2—Ptxxvi2.685 (2)
Pt—Al1x2.493 (4)Al2—Al3ii2.877 (4)
Pt—Al1xi2.493 (4)Al2—Al3ix2.877 (4)
Pt—Al1xii2.493 (4)Al2—Al32.877 (4)
Pt—Al3xiii2.5154 (9)Al2—Al2xxvii2.891 (5)
Pt—Al3xiv2.5154 (10)Al2—Al2xxviii2.891 (5)
Pt—Al3xv2.5154 (10)Al2—Al2xxix2.891 (5)
Pt—Al2xvi2.521 (5)Al3—Ptxxx2.5154 (10)
Pt—Al2xiv2.685 (2)Al3—Ptxx2.5154 (10)
Pt—Al2xiii2.685 (2)Al3—Ptxxvi2.5154 (9)
Pt—Al2xvii2.685 (2)Al3—Al1i2.855 (3)
Pt—Uxi3.3765 (8)Al3—Al1vii2.855 (3)
Pt—Uxviii3.3765 (8)Al3—Al1iii2.855 (3)
Al1—Uxix1.500 (10)Al3—Al1xxxi2.855 (3)
Al1—Al1iii1.695 (18)Al3—Al1xxi2.855 (3)
Al1—Al1viii1.695 (18)Al3—Al2xxxii2.877 (4)
Al1—Ptxi2.493 (4)Al3—Al2xix2.877 (4)
Al1i—U—Al1ii120.001 (2)Uxix—Al1—Al3xxiii84.8 (2)
Al1i—U—Al1iii119.999 (1)Al1iii—Al1—Al3xxiii117.1 (2)
Al1ii—U—Al1iii119.999 (2)Al1viii—Al1—Al3xxiii72.73 (19)
Al1i—U—Al1iv104.06 (13)Ptxi—Al1—Al3xxiii129.52 (15)
Al1ii—U—Al1iv15.94 (14)Ptxx—Al1—Al3xxiii55.62 (7)
Al1iii—U—Al1iv135.94 (14)Al1xxi—Al1—Al3xxiii107.27 (19)
Al1i—U—Al1v15.94 (13)Al1xxii—Al1—Al3xxiii62.9 (2)
Al1ii—U—Al1v104.06 (13)Al3—Al1—Al3xxiii97.52 (15)
Al1iii—U—Al1v135.94 (14)Uxix—Al1—Al3xxiv84.8 (2)
Al1iv—U—Al1v88.1 (3)Al1iii—Al1—Al3xxiv117.1 (2)
Al1i—U—Al1vi135.94 (14)Al1viii—Al1—Al3xxiv72.73 (19)
Al1ii—U—Al1vi15.94 (13)Ptxi—Al1—Al3xxiv55.62 (7)
Al1iii—U—Al1vi104.06 (14)Ptxx—Al1—Al3xxiv129.52 (15)
Al1iv—U—Al1vi31.9 (3)Al1xxi—Al1—Al3xxiv107.27 (19)
Al1v—U—Al1vi120.001 (2)Al1xxii—Al1—Al3xxiv62.93 (19)
Al1i—U—Al1vii15.94 (13)Al3—Al1—Al3xxiv169.5 (4)
Al1ii—U—Al1vii135.94 (14)Al3xxiii—Al1—Al3xxiv81.52 (15)
Al1iii—U—Al1vii104.06 (14)Uxix—Al1—Al3xvi84.8 (2)
Al1iv—U—Al1vii120.001 (1)Al1iii—Al1—Al3xvi72.73 (19)
Al1v—U—Al1vii31.9 (3)Al1viii—Al1—Al3xvi117.1 (2)
Al1vi—U—Al1vii151.9 (3)Ptxi—Al1—Al3xvi55.62 (7)
Al1i—U—Al1104.06 (14)Ptxx—Al1—Al3xvi129.52 (15)
Al1ii—U—Al1135.94 (14)Al1xxi—Al1—Al3xvi62.9 (2)
Al1iii—U—Al115.94 (14)Al1xxii—Al1—Al3xvi107.27 (19)
Al1iv—U—Al1151.9 (3)Al3—Al1—Al3xvi81.52 (15)
Al1v—U—Al1120.000 (3)Al3xxiii—Al1—Al3xvi169.5 (4)
Al1vi—U—Al1120.000 (3)Al3xxiv—Al1—Al3xvi97.52 (15)
Al1vii—U—Al188.1 (3)Uxix—Al1—Uxxiii135.94 (13)
Al1i—U—Al1viii135.94 (14)Al1iii—Al1—Uxxiii74.06 (13)
Al1ii—U—Al1viii104.06 (14)Al1viii—Al1—Uxxiii14.06 (13)
Al1iii—U—Al1viii15.94 (14)Ptxi—Al1—Uxxiii73.61 (19)
Al1iv—U—Al1viii120.000 (4)Ptxx—Al1—Uxxiii73.62 (19)
Al1v—U—Al1viii151.9 (3)Al1xxi—Al1—Uxxiii165.94 (13)
Al1vi—U—Al1viii88.1 (3)Al1xxii—Al1—Uxxiii105.94 (13)
Al1vii—U—Al1viii120.000 (2)Al3—Al1—Uxxiii126.1 (3)
Al1—U—Al1viii31.9 (3)Al3xxiii—Al1—Uxxiii62.79 (9)
Al1i—U—Al366.44 (2)Al3xxiv—Al1—Uxxiii62.78 (9)
Al1ii—U—Al3143.06 (7)Al3xvi—Al1—Uxxiii126.1 (3)
Al1iii—U—Al366.45 (2)Ptxvi—Al2—Ptxx112.60 (10)
Al1iv—U—Al3140.22 (8)Ptxvi—Al2—Ptxxv112.60 (10)
Al1v—U—Al378.80 (11)Ptxx—Al2—Ptxxv106.17 (11)
Al1vi—U—Al3140.22 (8)Ptxvi—Al2—Ptxxvi112.60 (10)
Al1vii—U—Al354.95 (10)Ptxx—Al2—Ptxxvi106.17 (11)
Al1—U—Al354.95 (10)Ptxxv—Al2—Ptxxvi106.17 (11)
Al1viii—U—Al378.80 (11)Ptxvi—Al2—Al3ii120.52 (12)
Al1i—U—Al3ii66.45 (2)Ptxx—Al2—Al3ii126.9 (2)
Al1ii—U—Al3ii66.45 (2)Ptxxv—Al2—Al3ii53.64 (5)
Al1iii—U—Al3ii143.06 (7)Ptxxvi—Al2—Al3ii53.64 (5)
Al1iv—U—Al3ii54.95 (10)Ptxvi—Al2—Al3ix120.52 (12)
Al1v—U—Al3ii54.95 (10)Ptxx—Al2—Al3ix53.64 (5)
Al1vi—U—Al3ii78.80 (11)Ptxxv—Al2—Al3ix53.65 (5)
Al1vii—U—Al3ii78.80 (11)Ptxxvi—Al2—Al3ix126.9 (2)
Al1—U—Al3ii140.22 (8)Al3ii—Al2—Al3ix96.50 (16)
Al1viii—U—Al3ii140.22 (8)Ptxvi—Al2—Al3120.52 (12)
Al3—U—Al3ii87.60 (11)Ptxx—Al2—Al353.64 (5)
Al1i—U—Al3ix143.06 (7)Ptxxv—Al2—Al3126.9 (2)
Al1ii—U—Al3ix66.45 (2)Ptxxvi—Al2—Al353.65 (5)
Al1iii—U—Al3ix66.45 (2)Al3ii—Al2—Al396.50 (16)
Al1iv—U—Al3ix78.80 (11)Al3ix—Al2—Al396.50 (16)
Al1v—U—Al3ix140.22 (8)Ptxvi—Al2—Al2xxvii59.01 (17)
Al1vi—U—Al3ix54.95 (10)Ptxx—Al2—Al2xxvii53.59 (7)
Al1vii—U—Al3ix140.22 (8)Ptxxv—Al2—Al2xxvii126.41 (2)
Al1—U—Al3ix78.80 (11)Ptxxvi—Al2—Al2xxvii126.41 (2)
Al1viii—U—Al3ix54.95 (10)Al3ii—Al2—Al2xxvii179.5 (3)
Al3—U—Al3ix87.60 (11)Al3ix—Al2—Al2xxvii83.81 (8)
Al3ii—U—Al3ix87.60 (11)Al3—Al2—Al2xxvii83.81 (8)
Al1x—Pt—Al1xi39.8 (4)Ptxvi—Al2—Al2xxviii59.01 (17)
Al1x—Pt—Al1xii39.8 (4)Ptxx—Al2—Al2xxviii126.41 (2)
Al1xi—Pt—Al1xii39.8 (4)Ptxxv—Al2—Al2xxviii126.41 (2)
Al1x—Pt—Al3xiii103.3 (2)Ptxxvi—Al2—Al2xxviii53.59 (7)
Al1xi—Pt—Al3xiii69.49 (14)Al3ii—Al2—Al2xxviii83.81 (8)
Al1xii—Pt—Al3xiii69.49 (13)Al3ix—Al2—Al2xxviii179.5 (3)
Al1x—Pt—Al3xiv69.49 (13)Al3—Al2—Al2xxviii83.81 (8)
Al1xi—Pt—Al3xiv69.49 (13)Al2xxvii—Al2—Al2xxviii95.9 (2)
Al1xii—Pt—Al3xiv103.3 (3)Ptxvi—Al2—Al2xxix59.01 (17)
Al3xiii—Pt—Al3xiv117.15 (6)Ptxx—Al2—Al2xxix126.41 (2)
Al1x—Pt—Al3xv69.49 (13)Ptxxv—Al2—Al2xxix53.59 (7)
Al1xi—Pt—Al3xv103.3 (3)Ptxxvi—Al2—Al2xxix126.41 (2)
Al1xii—Pt—Al3xv69.49 (13)Al3ii—Al2—Al2xxix83.81 (8)
Al3xiii—Pt—Al3xv117.15 (6)Al3ix—Al2—Al2xxix83.81 (8)
Al3xiv—Pt—Al3xv117.15 (6)Al3—Al2—Al2xxix179.5 (3)
Al1x—Pt—Al2xvi156.9 (2)Al2xxvii—Al2—Al2xxix95.9 (2)
Al1xi—Pt—Al2xvi156.9 (2)Al2xxviii—Al2—Al2xxix95.9 (2)
Al1xii—Pt—Al2xvi156.9 (2)Ptxvi—Al2—U180.0
Al3xiii—Pt—Al2xvi99.83 (11)Ptxx—Al2—U67.40 (10)
Al3xiv—Pt—Al2xvi99.83 (11)Ptxxv—Al2—U67.40 (10)
Al3xv—Pt—Al2xvi99.83 (11)Ptxxvi—Al2—U67.40 (10)
Al1x—Pt—Al2xiv89.5 (2)Al3ii—Al2—U59.48 (12)
Al1xi—Pt—Al2xiv122.32 (11)Al3ix—Al2—U59.48 (12)
Al1xii—Pt—Al2xiv122.32 (11)Al3—Al2—U59.48 (12)
Al3xiii—Pt—Al2xiv167.23 (15)Al2xxvii—Al2—U120.99 (17)
Al3xiv—Pt—Al2xiv67.09 (7)Al2xxviii—Al2—U120.99 (17)
Al3xv—Pt—Al2xiv67.09 (7)Al2xxix—Al2—U120.99 (17)
Al2xvi—Pt—Al2xiv67.40 (10)Ptxxx—Al3—Ptxx117.15 (6)
Al1x—Pt—Al2xiii122.32 (11)Ptxxx—Al3—Ptxxvi117.15 (6)
Al1xi—Pt—Al2xiii122.32 (11)Ptxx—Al3—Ptxxvi117.15 (6)
Al1xii—Pt—Al2xiii89.5 (2)Ptxxx—Al3—Al1i135.1 (2)
Al3xiii—Pt—Al2xiii67.09 (7)Ptxx—Al3—Al1i101.6 (2)
Al3xiv—Pt—Al2xiii167.23 (15)Ptxxvi—Al3—Al1i54.89 (12)
Al3xv—Pt—Al2xiii67.09 (7)Ptxxx—Al3—Al1vii101.6 (2)
Al2xvi—Pt—Al2xiii67.40 (10)Ptxx—Al3—Al1vii135.1 (2)
Al2xiv—Pt—Al2xiii106.17 (11)Ptxxvi—Al3—Al1vii54.89 (12)
Al1x—Pt—Al2xvii122.32 (11)Al1i—Al3—Al1vii34.5 (4)
Al1xi—Pt—Al2xvii89.5 (2)Ptxxx—Al3—Al1101.6 (2)
Al1xii—Pt—Al2xvii122.32 (11)Ptxx—Al3—Al154.89 (12)
Al3xiii—Pt—Al2xvii67.09 (7)Ptxxvi—Al3—Al1135.1 (2)
Al3xiv—Pt—Al2xvii67.09 (7)Al1i—Al3—Al181.99 (12)
Al3xv—Pt—Al2xvii167.23 (15)Al1vii—Al3—Al197.52 (15)
Al2xvi—Pt—Al2xvii67.40 (10)Ptxxx—Al3—Al1iii135.1 (2)
Al2xiv—Pt—Al2xvii106.17 (11)Ptxx—Al3—Al1iii54.89 (12)
Al2xiii—Pt—Al2xvii106.17 (11)Ptxxvi—Al3—Al1iii101.6 (2)
Al1x—Pt—Uxi24.1 (2)Al1i—Al3—Al1iii54.1 (4)
Al1xi—Pt—Uxi61.28 (15)Al1vii—Al3—Al1iii81.99 (12)
Al1xii—Pt—Uxi61.28 (15)Al1—Al3—Al1iii34.5 (4)
Al3xiii—Pt—Uxi127.40 (11)Ptxxx—Al3—Al1xxxi54.89 (12)
Al3xiv—Pt—Uxi61.48 (8)Ptxx—Al3—Al1xxxi135.1 (2)
Al3xv—Pt—Uxi61.48 (8)Ptxxvi—Al3—Al1xxxi101.6 (2)
Al2xvi—Pt—Uxi132.773 (14)Al1i—Al3—Al1xxxi81.99 (12)
Al2xiv—Pt—Uxi65.37 (10)Al1vii—Al3—Al1xxxi54.1 (4)
Al2xiii—Pt—Uxi126.86 (6)Al1—Al3—Al1xxxi81.99 (12)
Al2xvii—Pt—Uxi126.86 (6)Al1iii—Al3—Al1xxxi97.52 (15)
Al1x—Pt—Uxviii61.28 (15)Ptxxx—Al3—Al1xxi54.89 (12)
Al1xi—Pt—Uxviii24.1 (2)Ptxx—Al3—Al1xxi101.6 (2)
Al1xii—Pt—Uxviii61.28 (16)Ptxxvi—Al3—Al1xxi135.1 (2)
Al3xiii—Pt—Uxviii61.48 (8)Al1i—Al3—Al1xxi97.52 (15)
Al3xiv—Pt—Uxviii61.48 (8)Al1vii—Al3—Al1xxi81.99 (12)
Al3xv—Pt—Uxviii127.40 (11)Al1—Al3—Al1xxi54.1 (4)
Al2xvi—Pt—Uxviii132.774 (14)Al1iii—Al3—Al1xxi81.99 (12)
Al2xiv—Pt—Uxviii126.86 (6)Al1xxxi—Al3—Al1xxi34.5 (4)
Al2xiii—Pt—Uxviii126.85 (6)Ptxxx—Al3—Al2xxxii59.26 (5)
Al2xvii—Pt—Uxviii65.37 (10)Ptxx—Al3—Al2xxxii139.7 (2)
Uxi—Pt—Uxviii78.94 (2)Ptxxvi—Al3—Al2xxxii59.26 (5)
Uxix—Al1—Al1iii150.0Al1i—Al3—Al2xxxii104.6 (2)
Uxix—Al1—Al1viii149.999 (1)Al1vii—Al3—Al2xxxii79.04 (12)
Al1iii—Al1—Al1viii60.000 (1)Al1—Al3—Al2xxxii158.7 (2)
Uxix—Al1—Ptxi113.1 (2)Al1iii—Al3—Al2xxxii158.7 (2)
Al1iii—Al1—Ptxi70.12 (19)Al1xxxi—Al3—Al2xxxii79.04 (12)
Al1viii—Al1—Ptxi70.12 (18)Al1xxi—Al3—Al2xxxii104.6 (2)
Uxix—Al1—Ptxx113.1 (2)Ptxxx—Al3—Al2139.7 (2)
Al1iii—Al1—Ptxx70.13 (19)Ptxx—Al3—Al259.26 (5)
Al1viii—Al1—Ptxx70.13 (18)Ptxxvi—Al3—Al259.26 (5)
Ptxi—Al1—Ptxx133.8 (4)Al1i—Al3—Al279.04 (13)
Uxix—Al1—Al1xxi30.000 (1)Al1vii—Al3—Al2104.6 (2)
Al1iii—Al1—Al1xxi120.001 (2)Al1—Al3—Al2104.6 (2)
Al1viii—Al1—Al1xxi179.999 (1)Al1iii—Al3—Al279.04 (12)
Ptxi—Al1—Al1xxi109.88 (19)Al1xxxi—Al3—Al2158.7 (2)
Ptxx—Al1—Al1xxi109.88 (19)Al1xxi—Al3—Al2158.7 (2)
Uxix—Al1—Al1xxii30.0Al2xxxii—Al3—Al296.50 (16)
Al1iii—Al1—Al1xxii179.999 (1)Ptxxx—Al3—Al2xix59.26 (5)
Al1viii—Al1—Al1xxii120.0Ptxx—Al3—Al2xix59.26 (5)
Ptxi—Al1—Al1xxii109.88 (19)Ptxxvi—Al3—Al2xix139.7 (2)
Ptxx—Al1—Al1xxii109.88 (19)Al1i—Al3—Al2xix158.7 (2)
Al1xxi—Al1—Al1xxii60.0Al1vii—Al3—Al2xix158.7 (2)
Uxix—Al1—Al384.8 (2)Al1—Al3—Al2xix79.04 (12)
Al1iii—Al1—Al372.73 (19)Al1iii—Al3—Al2xix104.6 (2)
Al1viii—Al1—Al3117.07 (19)Al1xxxi—Al3—Al2xix104.6 (2)
Ptxi—Al1—Al3129.52 (15)Al1xxi—Al3—Al2xix79.04 (12)
Ptxx—Al1—Al355.62 (7)Al2xxxii—Al3—Al2xix96.50 (16)
Al1xxi—Al1—Al362.9 (2)Al2—Al3—Al2xix96.50 (16)
Al1xxii—Al1—Al3107.27 (19)
Symmetry codes: (i) y, xy, 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, xy+1, z; (vii) x1, y, z; (viii) y+1, xy, z; (ix) x+1, y+1, z; (x) xy, 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, y1, z; (xx) x+1, y+1, z1/2; (xxi) y, xy1, z; (xxii) x+y+1, x, z; (xxiii) x+1, y, z; (xxiv) x+1, y, z+1/2; (xxv) x+1, y+2, z1/2; (xxvi) x, y+1, z1/2; (xxvii) x+1, y+1, z; (xxviii) x, y+1, z; (xxix) x+1, y+2, z; (xxx) x, y, z1/2; (xxxi) x+y, x, z; (xxxii) x1, y1, z.
 

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