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Gadolinium tantalum aluminium, Gd6Ta4Al43, adopts the Ho6Mo4Al43 structure type, with 12-fold coordination around the Gd and twofold coordination around the Ta and Al atoms.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803021640/mg6025sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803021640/mg6025Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](Gd-Gd) = 0.001 Å
  • R factor = 0.019
  • wR factor = 0.043
  • Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.99 PLAT731_ALERT_1_B Bond Calc 3.1349(19), Rep 3.1350(4) ...... 4.75 su-Rat GD -AL5 1.555 14.555 PLAT731_ALERT_1_B Bond Calc 2.618(4), Rep 2.6181(5) ...... 8.00 su-Rat TA1 -AL7 1.555 2.655
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT731_ALERT_1_C Bond Calc 3.1349(13), Rep 3.1350(4) ...... 3.25 su-Rat GD -AL5 1.555 1.545 PLAT731_ALERT_1_C Bond Calc 2.618(2), Rep 2.6181(5) ...... 4.00 su-Rat TA1 -AL7 1.555 1.655 PLAT731_ALERT_1_C Bond Calc 3.1350(13), Rep 3.1350(4) ...... 3.25 su-Rat AL5 -GD 1.555 1.565 PLAT731_ALERT_1_C Bond Calc 3.1350(15), Rep 3.1350(4) ...... 3.75 su-Rat AL5 -GD 1.555 15.555 PLAT731_ALERT_1_C Bond Calc 3.4179(16), Rep 3.4178(5) ...... 3.20 su-Rat AL5 -GD 1.555 13.665 PLAT731_ALERT_1_C Bond Calc 3.4179(14), Rep 3.4178(5) ...... 2.80 su-Rat AL5 -GD 1.555 3.665 PLAT731_ALERT_1_C Bond Calc 2.618(2), Rep 2.6181(5) ...... 4.00 su-Rat AL7 -TA1 1.555 1.455 PLAT731_ALERT_1_C Bond Calc 2.618(2), Rep 2.6181(5) ...... 4.00 su-Rat AL7 -TA1 1.555 3.665
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 12 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, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2001); program(s) used to refine structure: SHELXL97 (Sheldrick, 2001); molecular graphics: Balls and Sticks (Kang & Ozawa, 2003); software used to prepare material for publication: SHELXL97.

gadolinium tantalum aluminium top
Crystal data top
Gd6Ta4Al43Dx = 4.916 Mg m3
Mr = 2827.44Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P63/mcmCell parameters from 12079 reflections
Hall symbol: -P 6c 2θ = 4.6–56.5°
a = 11.1047 (16) ŵ = 22.66 mm1
c = 17.885 (4) ÅT = 293 K
V = 1910.0 (5) Å3Prism, silver
Z = 20.19 × 0.09 × 0.05 mm
F(000) = 2470
Data collection top
Bruker SMART APEX
diffractometer
873 independent reflections
Radiation source: normal sealed tube859 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
ω scansθmax = 28.2°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS2.03; Sheldrick, 2002)
h = 1414
Tmin = 0.099, Tmax = 0.322k = 1410
11039 measured reflectionsl = 2222
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)] = 0.019 w = 1/[σ2(Fo2) + (0.0157P)2 + 8.7197P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.043(Δ/σ)max < 0.001
S = 1.34Δρmax = 1.51 e Å3
873 reflectionsΔρmin = 0.85 e Å3
53 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.00078 (5)
Special details top

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*/Ueq
Gd0.52907 (3)0.00000.095876 (16)0.00727 (11)
Ta10.72815 (3)0.00000.25000.00436 (11)
Ta20.00000.00000.00000.00447 (14)
Al10.60496 (14)0.76378 (15)0.16351 (8)0.0103 (3)
Al20.00000.84110 (18)0.11526 (10)0.0094 (4)
Al30.25515 (17)0.00000.02958 (11)0.0092 (4)
Al40.4459 (2)0.8513 (2)0.25000.0091 (4)
Al50.5057 (2)0.75285 (10)0.00000.0098 (4)
Al60.33330.66670.12544 (13)0.0090 (4)
Al70.00000.1485 (3)0.25000.0093 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Gd0.00779 (14)0.00683 (16)0.00686 (16)0.00341 (8)0.00117 (9)0.000
Ta10.00402 (14)0.00412 (17)0.00498 (17)0.00206 (9)0.0000.000
Ta20.00471 (18)0.00471 (18)0.0040 (3)0.00235 (9)0.0000.000
Al10.0076 (6)0.0090 (6)0.0125 (6)0.0027 (5)0.0001 (5)0.0025 (5)
Al20.0086 (9)0.0109 (7)0.0080 (8)0.0043 (4)0.0000.0027 (6)
Al30.0080 (6)0.0098 (9)0.0106 (9)0.0049 (5)0.0001 (6)0.000
Al40.0065 (9)0.0119 (9)0.0080 (8)0.0038 (7)0.0000.000
Al50.0077 (9)0.0092 (6)0.0122 (8)0.0038 (4)0.0000.0017 (6)
Al60.0082 (6)0.0082 (6)0.0106 (10)0.0041 (3)0.0000.000
Al70.0054 (12)0.0106 (10)0.0103 (12)0.0027 (6)0.0000.000
Geometric parameters (Å, º) top
Gd—Al1i3.0681 (14)Al2—Al7xxiii2.9548 (19)
Gd—Al1ii3.0681 (14)Al2—Al7xxvii2.9548 (19)
Gd—Al4iii3.1069 (11)Al2—Gdxx3.482 (2)
Gd—Al4iv3.1069 (11)Al3—Al5xxviii2.7525 (19)
Gd—Al5iv3.1350 (4)Al3—Al5i2.7525 (19)
Gd—Al5v3.1350 (4)Al3—Al2xvii2.802 (3)
Gd—Al33.265 (2)Al3—Al2xv2.9139 (19)
Gd—Al6vi3.2650 (6)Al3—Al2iv2.9139 (19)
Gd—Al6iv3.2650 (6)Al3—Al1ii2.919 (2)
Gd—Al3vii3.283 (2)Al3—Al1i2.919 (2)
Gd—Al1viii3.3564 (15)Al3—Gdvii3.283 (2)
Gd—Al1iv3.3564 (15)Al4—Ta1xxii2.716 (2)
Ta1—Al7ix2.6181 (5)Al4—Al1xv2.750 (2)
Ta1—Al7i2.6181 (5)Al4—Al1xxix2.750 (2)
Ta1—Al4iv2.716 (2)Al4—Al62.858 (2)
Ta1—Al4iii2.716 (2)Al4—Al6xiii2.858 (2)
Ta1—Al2x2.7168 (19)Al4—Al1xiii2.859 (2)
Ta1—Al2xi2.7168 (19)Al4—Al4xxx2.860 (4)
Ta1—Al1iv2.7490 (14)Al4—Gdxxxi3.1069 (11)
Ta1—Al1iii2.7490 (14)Al4—Gdxxii3.1069 (11)
Ta1—Al1viii2.7490 (14)Al5—Al3xxviii2.7525 (19)
Ta1—Al1xii2.7490 (14)Al5—Al3xxiv2.7525 (19)
Ta1—Gdxiii3.5336 (6)Al5—Al6xxxii2.790 (2)
Ta2—Al2xiv2.7135 (19)Al5—Al62.790 (2)
Ta2—Al2xv2.7135 (19)Al5—Al5xxiii2.871 (3)
Ta2—Al2iv2.7135 (19)Al5—Al5xv2.871 (3)
Ta2—Al2xvi2.7135 (19)Al5—Gdxxii3.1350 (4)
Ta2—Al2xvii2.7135 (19)Al5—Gdxix3.1350 (4)
Ta2—Al2xviii2.7135 (19)Al5—Gdxxviii3.4178 (5)
Ta2—Al3xix2.8824 (19)Al5—Gdxxiv3.4178 (5)
Ta2—Al3xi2.8824 (19)Al6—Al1xv2.7335 (15)
Ta2—Al32.8824 (19)Al6—Al1xxiii2.7335 (15)
Ta2—Al3xx2.8824 (19)Al6—Al5xv2.790 (2)
Ta2—Al3v2.8824 (19)Al6—Al5xxiii2.790 (2)
Ta2—Al3xxi2.8824 (19)Al6—Al4xv2.858 (2)
Al1—Al62.7335 (15)Al6—Al4xxiii2.858 (2)
Al1—Ta1xxii2.7490 (14)Al6—Gdxx3.2650 (6)
Al1—Al4xxiii2.750 (2)Al6—Gdxxii3.2650 (6)
Al1—Al2xxiii2.7611 (18)Al6—Gdxxiv3.2650 (6)
Al1—Al7xv2.858 (2)Al7—Ta1xxxiii2.6181 (5)
Al1—Al42.859 (2)Al7—Ta1xxiv2.6181 (5)
Al1—Al3xxiv2.919 (2)Al7—Al7xx2.856 (5)
Al1—Gdxxiv3.0681 (14)Al7—Al7xi2.856 (5)
Al1—Gdxxii3.3564 (15)Al7—Al1xxxiv2.858 (2)
Al2—Ta2xxii2.7135 (19)Al7—Al1xxxv2.858 (2)
Al2—Ta1xx2.7168 (19)Al7—Al1xxiii2.858 (2)
Al2—Al1xxv2.7611 (18)Al7—Al1xxxvi2.858 (2)
Al2—Al1xv2.7611 (18)Al7—Al2xviii2.9548 (19)
Al2—Al3xxvi2.802 (3)Al7—Al2xxix2.9548 (19)
Al2—Al3xxiii2.914 (2)Al7—Al2xxxvii2.9548 (19)
Al2—Al3xxii2.914 (2)Al7—Al2xv2.9548 (19)
Al1i—Gd—Al1ii59.71 (5)Al1xv—Al2—Gdxx63.82 (5)
Al1i—Gd—Al4iii81.66 (5)Al3xxvi—Al2—Gdxx61.86 (6)
Al1ii—Gd—Al4iii52.89 (4)Al3xxiii—Al2—Gdxx93.81 (5)
Al1i—Gd—Al4iv52.89 (4)Al3xxii—Al2—Gdxx93.81 (5)
Al1ii—Gd—Al4iv81.66 (5)Al7xxiii—Al2—Gdxx113.44 (6)
Al4iii—Gd—Al4iv54.81 (7)Al7xxvii—Al2—Gdxx113.44 (6)
Al1i—Gd—Al5iv96.46 (4)Al5xxviii—Al3—Al5i119.43 (8)
Al1ii—Gd—Al5iv150.14 (4)Al5xxviii—Al3—Al2xvii90.01 (5)
Al4iii—Gd—Al5iv147.72 (4)Al5i—Al3—Al2xvii90.01 (5)
Al4iv—Gd—Al5iv98.49 (4)Al5xxviii—Al3—Ta2115.03 (5)
Al1i—Gd—Al5v150.14 (4)Al5i—Al3—Ta2115.03 (5)
Al1ii—Gd—Al5v96.46 (4)Al2xvii—Al3—Ta257.00 (5)
Al4iii—Gd—Al5v98.49 (4)Al5xxviii—Al3—Al2xv87.73 (4)
Al4iv—Gd—Al5v147.72 (4)Al5i—Al3—Al2xv150.01 (7)
Al5iv—Gd—Al5v98.60 (5)Al2xvii—Al3—Al2xv103.34 (8)
Al1i—Gd—Al354.79 (4)Ta2—Al3—Al2xv55.83 (5)
Al1ii—Gd—Al354.79 (4)Al5xxviii—Al3—Al2iv150.01 (7)
Al4iii—Gd—Al3107.02 (5)Al5i—Al3—Al2iv87.73 (4)
Al4iv—Gd—Al3107.02 (5)Al2xvii—Al3—Al2iv103.34 (8)
Al5iv—Gd—Al397.59 (4)Ta2—Al3—Al2iv55.83 (5)
Al5v—Gd—Al397.59 (4)Al2xv—Al3—Al2iv63.26 (9)
Al1i—Gd—Al6vi110.40 (3)Al5xxviii—Al3—Al1ii66.34 (4)
Al1ii—Gd—Al6vi51.02 (3)Al5i—Al3—Al1ii120.15 (7)
Al4iii—Gd—Al6vi53.22 (5)Al2xvii—Al3—Al1ii147.81 (4)
Al4iv—Gd—Al6vi107.76 (5)Ta2—Al3—Al1ii112.13 (6)
Al5iv—Gd—Al6vi150.23 (4)Al2xv—Al3—Al1ii56.50 (5)
Al5v—Gd—Al6vi51.63 (4)Al2iv—Al3—Al1ii89.82 (7)
Al3—Gd—Al6vi88.093 (17)Al5xxviii—Al3—Al1i120.15 (7)
Al1i—Gd—Al6iv51.02 (3)Al5i—Al3—Al1i66.34 (4)
Al1ii—Gd—Al6iv110.40 (3)Al2xvii—Al3—Al1i147.81 (4)
Al4iii—Gd—Al6iv107.76 (5)Ta2—Al3—Al1i112.13 (6)
Al4iv—Gd—Al6iv53.22 (5)Al2xv—Al3—Al1i89.82 (7)
Al5iv—Gd—Al6iv51.63 (4)Al2iv—Al3—Al1i56.50 (5)
Al5v—Gd—Al6iv150.23 (4)Al1ii—Al3—Al1i63.10 (7)
Al3—Gd—Al6iv88.093 (17)Al5xxviii—Al3—Gd68.62 (4)
Al6vi—Gd—Al6iv158.13 (7)Al5i—Al3—Gd68.62 (4)
Al1i—Gd—Al3vii146.44 (3)Al2xvii—Al3—Gd133.72 (8)
Al1ii—Gd—Al3vii146.44 (3)Ta2—Al3—Gd169.28 (7)
Al4iii—Gd—Al3vii129.02 (5)Al2xv—Al3—Gd115.65 (6)
Al4iv—Gd—Al3vii129.02 (5)Al2iv—Al3—Gd115.65 (6)
Al5iv—Gd—Al3vii50.73 (3)Al1ii—Al3—Gd59.18 (4)
Al5v—Gd—Al3vii50.73 (3)Al1i—Al3—Gd59.18 (4)
Al3—Gd—Al3vii115.58 (4)Al5xxviii—Al3—Gdvii61.86 (4)
Al6vi—Gd—Al3vii100.54 (3)Al5i—Al3—Gdvii61.86 (4)
Al6iv—Gd—Al3vii100.54 (3)Al2xvii—Al3—Gdvii69.30 (6)
Al1i—Gd—Al1viii133.69 (5)Ta2—Al3—Gdvii126.31 (7)
Al1ii—Gd—Al1viii90.96 (5)Al2xv—Al3—Gdvii148.02 (4)
Al4iii—Gd—Al1viii52.34 (4)Al2iv—Al3—Gdvii148.02 (4)
Al4iv—Gd—Al1viii90.69 (4)Al1ii—Al3—Gdvii113.14 (6)
Al5iv—Gd—Al1viii118.84 (4)Al1i—Al3—Gdvii113.14 (6)
Al5v—Gd—Al1viii57.05 (3)Gd—Al3—Gdvii64.42 (4)
Al3—Gd—Al1viii136.80 (2)Ta1xxii—Al4—Al1xv136.13 (6)
Al6vi—Gd—Al1viii48.74 (3)Ta1xxii—Al4—Al1xxix136.13 (6)
Al6iv—Gd—Al1viii132.04 (4)Al1xv—Al4—Al1xxix68.46 (7)
Al3vii—Gd—Al1viii77.16 (4)Ta1xxii—Al4—Al6113.20 (5)
Al1i—Gd—Al1iv90.96 (5)Al1xv—Al4—Al658.31 (4)
Al1ii—Gd—Al1iv133.69 (5)Al1xxix—Al4—Al6110.59 (7)
Al4iii—Gd—Al1iv90.69 (4)Ta1xxii—Al4—Al6xiii113.20 (5)
Al4iv—Gd—Al1iv52.34 (4)Al1xv—Al4—Al6xiii110.59 (7)
Al5iv—Gd—Al1iv57.05 (3)Al1xxix—Al4—Al6xiii58.31 (4)
Al5v—Gd—Al1iv118.84 (4)Al6—Al4—Al6xiii102.44 (9)
Al3—Gd—Al1iv136.80 (2)Ta1xxii—Al4—Al1xiii59.02 (5)
Al6vi—Gd—Al1iv132.04 (4)Al1xv—Al4—Al1xiii160.85 (9)
Al6iv—Gd—Al1iv48.74 (3)Al1xxix—Al4—Al1xiii109.64 (6)
Al3vii—Gd—Al1iv77.16 (4)Al6—Al4—Al1xiii107.50 (7)
Al1viii—Gd—Al1iv85.20 (5)Al6xiii—Al4—Al1xiii57.12 (4)
Al7ix—Ta1—Al7i66.11 (12)Ta1xxii—Al4—Al159.02 (5)
Al7ix—Ta1—Al4iv178.71 (8)Al1xv—Al4—Al1109.64 (6)
Al7i—Ta1—Al4iv115.18 (8)Al1xxix—Al4—Al1160.85 (9)
Al7ix—Ta1—Al4iii115.18 (8)Al6—Al4—Al157.12 (4)
Al7i—Ta1—Al4iii178.71 (8)Al6xiii—Al4—Al1107.50 (7)
Al4iv—Ta1—Al4iii63.54 (8)Al1xiii—Al4—Al165.50 (7)
Al7ix—Ta1—Al2x67.23 (4)Ta1xxii—Al4—Al4xxx58.23 (4)
Al7i—Ta1—Al2x67.23 (4)Al1xv—Al4—Al4xxx92.03 (5)
Al4iv—Ta1—Al2x113.11 (4)Al1xxix—Al4—Al4xxx92.03 (5)
Al4iii—Ta1—Al2x113.11 (4)Al6—Al4—Al4xxx128.42 (4)
Al7ix—Ta1—Al2xi67.23 (4)Al6xiii—Al4—Al4xxx128.42 (4)
Al7i—Ta1—Al2xi67.23 (4)Al1xiii—Al4—Al4xxx107.12 (5)
Al4iv—Ta1—Al2xi113.11 (4)Al1—Al4—Al4xxx107.12 (5)
Al4iii—Ta1—Al2xi113.11 (4)Ta1xxii—Al4—Gdxxxi74.38 (4)
Al2x—Ta1—Al2xi125.01 (9)Al1xv—Al4—Gdxxxi122.79 (7)
Al7ix—Ta1—Al1iv117.90 (6)Al1xxix—Al4—Gdxxxi62.83 (4)
Al7i—Ta1—Al1iv64.31 (6)Al6—Al4—Gdxxxi168.56 (7)
Al4iv—Ta1—Al1iv63.09 (4)Al6xiii—Al4—Gdxxxi66.22 (3)
Al4iii—Ta1—Al1iv114.69 (4)Al1xiii—Al4—Gdxxxi68.32 (4)
Al2x—Ta1—Al1iv120.57 (3)Al1—Al4—Gdxxxi126.19 (7)
Al2xi—Ta1—Al1iv60.68 (3)Al4xxx—Al4—Gdxxxi62.60 (3)
Al7ix—Ta1—Al1iii64.31 (6)Ta1xxii—Al4—Gdxxii74.38 (4)
Al7i—Ta1—Al1iii117.90 (6)Al1xv—Al4—Gdxxii62.83 (4)
Al4iv—Ta1—Al1iii114.69 (4)Al1xxix—Al4—Gdxxii122.79 (7)
Al4iii—Ta1—Al1iii63.09 (4)Al6—Al4—Gdxxii66.22 (3)
Al2x—Ta1—Al1iii60.68 (3)Al6xiii—Al4—Gdxxii168.56 (7)
Al2xi—Ta1—Al1iii120.57 (3)Al1xiii—Al4—Gdxxii126.19 (7)
Al1iv—Ta1—Al1iii177.65 (6)Al1—Al4—Gdxxii68.32 (4)
Al7ix—Ta1—Al1viii64.31 (6)Al4xxx—Al4—Gdxxii62.60 (3)
Al7i—Ta1—Al1viii117.90 (6)Gdxxxi—Al4—Gdxxii125.05 (7)
Al4iv—Ta1—Al1viii114.69 (4)Al3xxviii—Al5—Al3xxiv66.65 (8)
Al4iii—Ta1—Al1viii63.09 (4)Al3xxviii—Al5—Al6xxxii110.00 (5)
Al2x—Ta1—Al1viii120.57 (3)Al3xxiv—Al5—Al6xxxii130.62 (5)
Al2xi—Ta1—Al1viii60.68 (3)Al3xxviii—Al5—Al6130.62 (5)
Al1iv—Ta1—Al1viii111.46 (6)Al3xxiv—Al5—Al6110.00 (5)
Al1iii—Ta1—Al1viii68.49 (6)Al6xxxii—Al5—Al6107.08 (8)
Al7ix—Ta1—Al1xii117.90 (6)Al3xxviii—Al5—Al5xxiii168.80 (4)
Al7i—Ta1—Al1xii64.31 (6)Al3xxiv—Al5—Al5xxiii117.79 (4)
Al4iv—Ta1—Al1xii63.09 (4)Al6xxxii—Al5—Al5xxiii59.03 (3)
Al4iii—Ta1—Al1xii114.69 (4)Al6—Al5—Al5xxiii59.03 (3)
Al2x—Ta1—Al1xii60.68 (3)Al3xxviii—Al5—Al5xv117.79 (4)
Al2xi—Ta1—Al1xii120.57 (3)Al3xxiv—Al5—Al5xv168.80 (4)
Al1iv—Ta1—Al1xii68.49 (6)Al6xxxii—Al5—Al5xv59.03 (3)
Al1iii—Ta1—Al1xii111.46 (6)Al6—Al5—Al5xv59.03 (3)
Al1viii—Ta1—Al1xii177.65 (6)Al5xxiii—Al5—Al5xv60.0
Al7ix—Ta1—Gd121.63 (3)Al3xxviii—Al5—Gdxxii67.41 (4)
Al7i—Ta1—Gd121.63 (3)Al3xxiv—Al5—Gdxxii105.33 (6)
Al4iv—Ta1—Gd57.865 (18)Al6xxxii—Al5—Gdxxii118.85 (3)
Al4iii—Ta1—Gd57.865 (18)Al6—Al5—Gdxxii66.588 (18)
Al2x—Ta1—Gd168.77 (4)Al5xxiii—Al5—Gdxxii118.63 (3)
Al2xi—Ta1—Gd66.23 (4)Al5xv—Al5—Gdxxii69.21 (3)
Al1iv—Ta1—Gd63.14 (3)Al3xxviii—Al5—Gdxix105.33 (6)
Al1iii—Ta1—Gd115.22 (3)Al3xxiv—Al5—Gdxix67.41 (4)
Al1viii—Ta1—Gd63.14 (3)Al6xxxii—Al5—Gdxix66.588 (18)
Al1xii—Ta1—Gd115.22 (3)Al6—Al5—Gdxix118.85 (3)
Al7ix—Ta1—Gdxiii121.63 (3)Al5xxiii—Al5—Gdxix69.21 (3)
Al7i—Ta1—Gdxiii121.63 (3)Al5xv—Al5—Gdxix118.63 (3)
Al4iv—Ta1—Gdxiii57.865 (18)Gdxxii—Al5—Gdxix171.78 (7)
Al4iii—Ta1—Gdxiii57.865 (18)Al3xxviii—Al5—Gdxxviii62.80 (4)
Al2x—Ta1—Gdxiii66.23 (4)Al3xxiv—Al5—Gdxxviii128.36 (6)
Al2xi—Ta1—Gdxiii168.77 (4)Al6xxxii—Al5—Gdxxviii62.506 (15)
Al1iv—Ta1—Gdxiii115.22 (3)Al6—Al5—Gdxxviii110.20 (4)
Al1iii—Ta1—Gdxiii63.14 (3)Al5xxiii—Al5—Gdxxviii110.18 (3)
Al1viii—Ta1—Gdxiii115.22 (3)Al5xv—Al5—Gdxxviii59.04 (3)
Al1xii—Ta1—Gdxiii63.14 (3)Gdxxii—Al5—Gdxxviii64.187 (15)
Gd—Ta1—Gdxiii102.540 (19)Gdxix—Al5—Gdxxviii116.708 (15)
Al2xiv—Ta2—Al2xv180.00 (9)Al3xxviii—Al5—Gdxxiv128.36 (6)
Al2xiv—Ta2—Al2iv111.45 (7)Al3xxiv—Al5—Gdxxiv62.80 (4)
Al2xv—Ta2—Al2iv68.55 (7)Al6xxxii—Al5—Gdxxiv110.20 (4)
Al2xiv—Ta2—Al2xvi68.55 (7)Al6—Al5—Gdxxiv62.506 (15)
Al2xv—Ta2—Al2xvi111.45 (7)Al5xxiii—Al5—Gdxxiv59.04 (3)
Al2iv—Ta2—Al2xvi180.00 (8)Al5xv—Al5—Gdxxiv110.18 (3)
Al2xiv—Ta2—Al2xvii68.55 (7)Gdxxii—Al5—Gdxxiv116.708 (15)
Al2xv—Ta2—Al2xvii111.45 (7)Gdxix—Al5—Gdxxiv64.187 (15)
Al2iv—Ta2—Al2xvii111.45 (7)Gdxxviii—Al5—Gdxxiv168.77 (6)
Al2xvi—Ta2—Al2xvii68.55 (7)Al1xv—Al6—Al1xxiii114.01 (4)
Al2xiv—Ta2—Al2xviii111.45 (7)Al1xv—Al6—Al1114.01 (4)
Al2xv—Ta2—Al2xviii68.55 (7)Al1xxiii—Al6—Al1114.01 (4)
Al2iv—Ta2—Al2xviii68.55 (7)Al1xv—Al6—Al5xv68.43 (5)
Al2xvi—Ta2—Al2xviii111.45 (7)Al1xxiii—Al6—Al5xv113.79 (5)
Al2xvii—Ta2—Al2xviii180.00 (8)Al1—Al6—Al5xv124.42 (6)
Al2xiv—Ta2—Al3xix119.99 (6)Al1xv—Al6—Al5xxiii124.42 (6)
Al2xv—Ta2—Al3xix60.01 (6)Al1xxiii—Al6—Al5xxiii68.43 (5)
Al2iv—Ta2—Al3xix117.33 (3)Al1—Al6—Al5xxiii113.79 (5)
Al2xvi—Ta2—Al3xix62.67 (3)Al5xv—Al6—Al5xxiii61.95 (7)
Al2xvii—Ta2—Al3xix62.67 (3)Al1xv—Al6—Al5113.79 (5)
Al2xviii—Ta2—Al3xix117.33 (3)Al1xxiii—Al6—Al5124.42 (6)
Al2xiv—Ta2—Al3xi60.01 (6)Al1—Al6—Al568.43 (5)
Al2xv—Ta2—Al3xi119.99 (6)Al5xv—Al6—Al561.95 (7)
Al2iv—Ta2—Al3xi62.67 (3)Al5xxiii—Al6—Al561.95 (7)
Al2xvi—Ta2—Al3xi117.33 (3)Al1xv—Al6—Al458.88 (6)
Al2xvii—Ta2—Al3xi117.33 (3)Al1xxiii—Al6—Al4114.33 (9)
Al2xviii—Ta2—Al3xi62.67 (3)Al1—Al6—Al461.47 (5)
Al3xix—Ta2—Al3xi180.00 (15)Al5xv—Al6—Al4118.87 (4)
Al2xiv—Ta2—Al3117.33 (3)Al5xxiii—Al6—Al4175.03 (5)
Al2xv—Ta2—Al362.67 (3)Al5—Al6—Al4113.70 (4)
Al2iv—Ta2—Al362.67 (3)Al1xv—Al6—Al4xv61.47 (5)
Al2xvi—Ta2—Al3117.33 (3)Al1xxiii—Al6—Al4xv58.88 (6)
Al2xvii—Ta2—Al360.01 (6)Al1—Al6—Al4xv114.33 (9)
Al2xviii—Ta2—Al3119.99 (6)Al5xv—Al6—Al4xv113.70 (4)
Al3xix—Ta2—Al363.29 (2)Al5xxiii—Al6—Al4xv118.87 (4)
Al3xi—Ta2—Al3116.71 (2)Al5—Al6—Al4xv175.03 (5)
Al2xiv—Ta2—Al3xx117.33 (3)Al4—Al6—Al4xv65.69 (7)
Al2xv—Ta2—Al3xx62.67 (3)Al1xv—Al6—Al4xxiii114.33 (9)
Al2iv—Ta2—Al3xx119.99 (6)Al1xxiii—Al6—Al4xxiii61.47 (5)
Al2xvi—Ta2—Al3xx60.01 (6)Al1—Al6—Al4xxiii58.88 (6)
Al2xvii—Ta2—Al3xx117.33 (3)Al5xv—Al6—Al4xxiii175.03 (5)
Al2xviii—Ta2—Al3xx62.67 (3)Al5xxiii—Al6—Al4xxiii113.70 (4)
Al3xix—Ta2—Al3xx63.29 (2)Al5—Al6—Al4xxiii118.87 (4)
Al3xi—Ta2—Al3xx116.71 (2)Al4—Al6—Al4xxiii65.69 (7)
Al3—Ta2—Al3xx116.71 (2)Al4xv—Al6—Al4xxiii65.69 (7)
Al2xiv—Ta2—Al3v62.67 (3)Al1xv—Al6—Gdxx67.38 (3)
Al2xv—Ta2—Al3v117.33 (3)Al1xxiii—Al6—Gdxx60.76 (3)
Al2iv—Ta2—Al3v60.01 (6)Al1—Al6—Gdxx173.80 (8)
Al2xvi—Ta2—Al3v119.99 (6)Al5xv—Al6—Gdxx61.78 (3)
Al2xvii—Ta2—Al3v62.67 (3)Al5xxiii—Al6—Gdxx68.22 (3)
Al2xviii—Ta2—Al3v117.33 (3)Al5—Al6—Gdxx116.95 (7)
Al3xix—Ta2—Al3v116.71 (2)Al4—Al6—Gdxx116.66 (6)
Al3xi—Ta2—Al3v63.29 (2)Al4xv—Al6—Gdxx60.55 (3)
Al3—Ta2—Al3v63.29 (2)Al4xxiii—Al6—Gdxx114.94 (5)
Al3xx—Ta2—Al3v180.00 (8)Al1xv—Al6—Gdxxii60.76 (3)
Al2xiv—Ta2—Al3xxi62.67 (3)Al1xxiii—Al6—Gdxxii173.80 (8)
Al2xv—Ta2—Al3xxi117.33 (3)Al1—Al6—Gdxxii67.38 (3)
Al2iv—Ta2—Al3xxi117.33 (3)Al5xv—Al6—Gdxxii68.22 (3)
Al2xvi—Ta2—Al3xxi62.67 (3)Al5xxiii—Al6—Gdxxii116.95 (7)
Al2xvii—Ta2—Al3xxi119.99 (6)Al5—Al6—Gdxxii61.78 (3)
Al2xviii—Ta2—Al3xxi60.01 (6)Al4—Al6—Gdxxii60.55 (3)
Al3xix—Ta2—Al3xxi116.71 (2)Al4xv—Al6—Gdxxii114.94 (5)
Al3xi—Ta2—Al3xxi63.29 (2)Al4xxiii—Al6—Gdxxii116.66 (6)
Al3—Ta2—Al3xxi180.00 (8)Gdxx—Al6—Gdxxii117.43 (2)
Al3xx—Ta2—Al3xxi63.29 (2)Al1xv—Al6—Gdxxiv173.80 (8)
Al3v—Ta2—Al3xxi116.71 (2)Al1xxiii—Al6—Gdxxiv67.38 (3)
Al6—Al1—Ta1xxii116.17 (5)Al1—Al6—Gdxxiv60.76 (3)
Al6—Al1—Al4xxiii62.82 (6)Al5xv—Al6—Gdxxiv116.95 (7)
Ta1xxii—Al1—Al4xxiii107.28 (5)Al5xxiii—Al6—Gdxxiv61.78 (3)
Al6—Al1—Al2xxiii129.31 (7)Al5—Al6—Gdxxiv68.22 (3)
Ta1xxii—Al1—Al2xxiii59.08 (4)Al4—Al6—Gdxxiv114.94 (5)
Al4xxiii—Al1—Al2xxiii163.84 (7)Al4xv—Al6—Gdxxiv116.66 (6)
Al6—Al1—Al7xv161.66 (7)Al4xxiii—Al6—Gdxxiv60.55 (3)
Ta1xxii—Al1—Al7xv55.62 (4)Gdxx—Al6—Gdxxiv117.43 (2)
Al4xxiii—Al1—Al7xv102.30 (7)Gdxxii—Al6—Gdxxiv117.43 (2)
Al2xxiii—Al1—Al7xv63.42 (7)Ta1xxxiii—Al7—Ta1xxiv173.89 (12)
Al6—Al1—Al461.41 (6)Ta1xxxiii—Al7—Al7xx56.95 (6)
Ta1xxii—Al1—Al457.89 (5)Ta1xxiv—Al7—Al7xx116.95 (6)
Al4xxiii—Al1—Al467.06 (8)Ta1xxxiii—Al7—Al7xi116.95 (6)
Al2xxiii—Al1—Al4107.51 (7)Ta1xxiv—Al7—Al7xi56.95 (6)
Al7xv—Al1—Al4103.93 (5)Al7xx—Al7—Al7xi60.0
Al6—Al1—Al3xxiv106.81 (7)Ta1xxxiii—Al7—Al1xxxiv124.62 (7)
Ta1xxii—Al1—Al3xxiv120.11 (6)Ta1xxiv—Al7—Al1xxxiv60.07 (4)
Al4xxiii—Al1—Al3xxiv129.28 (7)Al7xx—Al7—Al1xxxiv146.05 (4)
Al2xxiii—Al1—Al3xxiv61.65 (6)Al7xi—Al7—Al1xxxiv107.17 (5)
Al7xv—Al1—Al3xxiv90.87 (5)Ta1xxxiii—Al7—Al1xxxv60.07 (4)
Al4—Al1—Al3xxiv155.49 (6)Ta1xxiv—Al7—Al1xxxv124.62 (7)
Al6—Al1—Gdxxiv68.21 (3)Al7xx—Al7—Al1xxxv107.17 (5)
Ta1xxii—Al1—Gdxxiv168.37 (6)Al7xi—Al7—Al1xxxv146.05 (4)
Al4xxiii—Al1—Gdxxiv64.28 (4)Al1xxxiv—Al7—Al1xxxv99.02 (10)
Al2xxiii—Al1—Gdxxiv127.64 (6)Ta1xxxiii—Al7—Al1xxiii124.62 (7)
Al7xv—Al1—Gdxxiv116.68 (6)Ta1xxiv—Al7—Al1xxiii60.07 (4)
Al4—Al1—Gdxxiv121.26 (6)Al7xx—Al7—Al1xxiii146.05 (4)
Al3xxiv—Al1—Gdxxiv66.03 (5)Al7xi—Al7—Al1xxiii107.17 (5)
Al6—Al1—Gdxxii63.88 (3)Al1xxxiv—Al7—Al1xxiii65.53 (7)
Ta1xxii—Al1—Gdxxii69.92 (3)Al1xxxv—Al7—Al1xxiii64.60 (7)
Al4xxiii—Al1—Gdxxii116.97 (6)Ta1xxxiii—Al7—Al1xxxvi60.07 (4)
Al2xxiii—Al1—Gdxxii68.60 (5)Ta1xxiv—Al7—Al1xxxvi124.62 (7)
Al7xv—Al1—Gdxxii120.04 (6)Al7xx—Al7—Al1xxxvi107.17 (5)
Al4—Al1—Gdxxii59.34 (4)Al7xi—Al7—Al1xxxvi146.05 (4)
Al3xxiv—Al1—Gdxxii96.38 (4)Al1xxxiv—Al7—Al1xxxvi64.60 (7)
Gdxxiv—Al1—Gdxxii120.53 (4)Al1xxxv—Al7—Al1xxxvi65.53 (7)
Ta2xxii—Al2—Ta1xx166.93 (8)Al1xxiii—Al7—Al1xxxvi99.02 (10)
Ta2xxii—Al2—Al1xxv123.10 (4)Ta1xxxiii—Al7—Al2xviii57.98 (4)
Ta1xx—Al2—Al1xxv60.24 (4)Ta1xxiv—Al7—Al2xviii120.17 (5)
Ta2xxii—Al2—Al1xv123.10 (4)Al7xx—Al7—Al2xviii61.10 (5)
Ta1xx—Al2—Al1xv60.24 (4)Al7xi—Al7—Al2xviii91.94 (6)
Al1xxv—Al2—Al1xv110.73 (8)Al1xxxiv—Al7—Al2xviii152.40 (9)
Ta2xxii—Al2—Al3xxvi62.99 (6)Al1xxxv—Al7—Al2xviii56.68 (4)
Ta1xx—Al2—Al3xxvi130.08 (8)Al1xxiii—Al7—Al2xviii90.20 (4)
Al1xxv—Al2—Al3xxvi96.19 (6)Al1xxxvi—Al7—Al2xviii109.48 (6)
Al1xv—Al2—Al3xxvi96.19 (6)Ta1xxxiii—Al7—Al2xxix120.17 (5)
Ta2xxii—Al2—Al3xxiii61.50 (5)Ta1xxiv—Al7—Al2xxix57.98 (4)
Ta1xx—Al2—Al3xxiii121.44 (5)Al7xx—Al7—Al2xxix91.94 (6)
Al1xxv—Al2—Al3xxiii61.85 (5)Al7xi—Al7—Al2xxix61.10 (5)
Al1xv—Al2—Al3xxiii156.05 (9)Al1xxxiv—Al7—Al2xxix56.68 (4)
Al3xxvi—Al2—Al3xxiii63.86 (5)Al1xxxv—Al7—Al2xxix152.40 (9)
Ta2xxii—Al2—Al3xxii61.50 (5)Al1xxiii—Al7—Al2xxix109.48 (6)
Ta1xx—Al2—Al3xxii121.44 (5)Al1xxxvi—Al7—Al2xxix90.20 (4)
Al1xxv—Al2—Al3xxii156.05 (9)Al2xviii—Al7—Al2xxix149.92 (12)
Al1xv—Al2—Al3xxii61.85 (5)Ta1xxxiii—Al7—Al2xxxvii57.98 (4)
Al3xxvi—Al2—Al3xxii63.86 (5)Ta1xxiv—Al7—Al2xxxvii120.17 (5)
Al3xxiii—Al2—Al3xxii114.73 (10)Al7xx—Al7—Al2xxxvii61.10 (5)
Ta2xxii—Al2—Al7xxiii114.38 (6)Al7xi—Al7—Al2xxxvii91.94 (6)
Ta1xx—Al2—Al7xxiii54.79 (3)Al1xxxiv—Al7—Al2xxxvii90.20 (4)
Al1xxv—Al2—Al7xxiii107.08 (7)Al1xxxv—Al7—Al2xxxvii109.48 (6)
Al1xv—Al2—Al7xxiii59.90 (6)Al1xxiii—Al7—Al2xxxvii152.40 (9)
Al3xxvi—Al2—Al7xxiii151.08 (5)Al1xxxvi—Al7—Al2xxxvii56.68 (4)
Al3xxiii—Al2—Al7xxiii142.93 (8)Al2xviii—Al7—Al2xxxvii109.29 (7)
Al3xxii—Al2—Al7xxiii89.08 (6)Al2xxix—Al7—Al2xxxvii62.29 (7)
Ta2xxii—Al2—Al7xxvii114.38 (6)Ta1xxxiii—Al7—Al2xv120.17 (5)
Ta1xx—Al2—Al7xxvii54.79 (3)Ta1xxiv—Al7—Al2xv57.98 (4)
Al1xxv—Al2—Al7xxvii59.90 (6)Al7xx—Al7—Al2xv91.94 (6)
Al1xv—Al2—Al7xxvii107.08 (7)Al7xi—Al7—Al2xv61.10 (5)
Al3xxvi—Al2—Al7xxvii151.08 (5)Al1xxxiv—Al7—Al2xv109.48 (6)
Al3xxiii—Al2—Al7xxvii89.08 (6)Al1xxxv—Al7—Al2xv90.20 (4)
Al3xxii—Al2—Al7xxvii142.93 (8)Al1xxiii—Al7—Al2xv56.68 (4)
Al7xxiii—Al2—Al7xxvii57.80 (10)Al1xxxvi—Al7—Al2xv152.40 (9)
Ta2xxii—Al2—Gdxx124.85 (6)Al2xviii—Al7—Al2xv62.29 (7)
Ta1xx—Al2—Gdxx68.22 (4)Al2xxix—Al7—Al2xv109.29 (7)
Al1xxv—Al2—Gdxx63.82 (5)Al2xxxvii—Al7—Al2xv149.92 (12)
Symmetry codes: (i) y+1, xy, z; (ii) x+1, x+y, z; (iii) xy+1, y+1, z+1/2; (iv) x, y1, z; (v) y, x+y, z; (vi) y, x, z; (vii) x+1, y, z; (viii) xy+1, y+1, z; (ix) x+1, y, z; (x) x+y, x, z+1/2; (xi) x+y, x, z; (xii) x, y1, z+1/2; (xiii) x, y, z+1/2; (xiv) y1, x+y1, z; (xv) y+1, xy+1, z; (xvi) x, y+1, z; (xvii) xy+1, x, z; (xviii) x+y1, x, z; (xix) xy, x, z; (xx) y, xy, z; (xxi) x, y, z; (xxii) x, y+1, z; (xxiii) x+y, x+1, z; (xxiv) x+y+1, x+1, z; (xxv) y1, x, z; (xxvi) y, x+y+1, z; (xxvii) y, xy+1, z; (xxviii) x+1, y+1, z; (xxix) y+1, xy+1, z+1/2; (xxx) xy+1, y+2, z+1/2; (xxxi) x, y+1, z+1/2; (xxxii) y+1, x+1, z; (xxxiii) x1, y, z; (xxxiv) x+y, x+1, z+1/2; (xxxv) xy, y+1, z; (xxxvi) xy, y+1, z+1/2; (xxxvii) x+y1, x, z+1/2.
 

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