Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803021640/mg6025sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803021640/mg6025Isup2.hkl |
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (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
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.
Gd6Ta4Al43 | Dx = 4.916 Mg m−3 |
Mr = 2827.44 | Mo Kα radiation, λ = 0.71073 Å |
Hexagonal, P63/mcm | Cell parameters from 12079 reflections |
Hall symbol: -P 6c 2 | θ = 4.6–56.5° |
a = 11.1047 (16) Å | µ = 22.66 mm−1 |
c = 17.885 (4) Å | T = 293 K |
V = 1910.0 (5) Å3 | Prism, silver |
Z = 2 | 0.19 × 0.09 × 0.05 mm |
F(000) = 2470 |
Bruker SMART APEX diffractometer | 873 independent reflections |
Radiation source: normal sealed tube | 859 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.036 |
ω scans | θmax = 28.2°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS2.03; Sheldrick, 2002) | h = −14→14 |
Tmin = 0.099, Tmax = 0.322 | k = −14→10 |
11039 measured reflections | l = −22→22 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary 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 = 1.34 | Δρmax = 1.51 e Å−3 |
873 reflections | Δρmin = −0.85 e Å−3 |
53 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.00078 (5) |
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. |
x | y | z | Uiso*/Ueq | ||
Gd | 0.52907 (3) | 0.0000 | 0.095876 (16) | 0.00727 (11) | |
Ta1 | 0.72815 (3) | 0.0000 | 0.2500 | 0.00436 (11) | |
Ta2 | 0.0000 | 0.0000 | 0.0000 | 0.00447 (14) | |
Al1 | 0.60496 (14) | 0.76378 (15) | 0.16351 (8) | 0.0103 (3) | |
Al2 | 0.0000 | 0.84110 (18) | 0.11526 (10) | 0.0094 (4) | |
Al3 | 0.25515 (17) | 0.0000 | 0.02958 (11) | 0.0092 (4) | |
Al4 | 0.4459 (2) | 0.8513 (2) | 0.2500 | 0.0091 (4) | |
Al5 | 0.5057 (2) | 0.75285 (10) | 0.0000 | 0.0098 (4) | |
Al6 | 0.3333 | 0.6667 | 0.12544 (13) | 0.0090 (4) | |
Al7 | 0.0000 | 0.1485 (3) | 0.2500 | 0.0093 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Gd | 0.00779 (14) | 0.00683 (16) | 0.00686 (16) | 0.00341 (8) | 0.00117 (9) | 0.000 |
Ta1 | 0.00402 (14) | 0.00412 (17) | 0.00498 (17) | 0.00206 (9) | 0.000 | 0.000 |
Ta2 | 0.00471 (18) | 0.00471 (18) | 0.0040 (3) | 0.00235 (9) | 0.000 | 0.000 |
Al1 | 0.0076 (6) | 0.0090 (6) | 0.0125 (6) | 0.0027 (5) | −0.0001 (5) | −0.0025 (5) |
Al2 | 0.0086 (9) | 0.0109 (7) | 0.0080 (8) | 0.0043 (4) | 0.000 | 0.0027 (6) |
Al3 | 0.0080 (6) | 0.0098 (9) | 0.0106 (9) | 0.0049 (5) | −0.0001 (6) | 0.000 |
Al4 | 0.0065 (9) | 0.0119 (9) | 0.0080 (8) | 0.0038 (7) | 0.000 | 0.000 |
Al5 | 0.0077 (9) | 0.0092 (6) | 0.0122 (8) | 0.0038 (4) | 0.000 | −0.0017 (6) |
Al6 | 0.0082 (6) | 0.0082 (6) | 0.0106 (10) | 0.0041 (3) | 0.000 | 0.000 |
Al7 | 0.0054 (12) | 0.0106 (10) | 0.0103 (12) | 0.0027 (6) | 0.000 | 0.000 |
Gd—Al1i | 3.0681 (14) | Al2—Al7xxiii | 2.9548 (19) |
Gd—Al1ii | 3.0681 (14) | Al2—Al7xxvii | 2.9548 (19) |
Gd—Al4iii | 3.1069 (11) | Al2—Gdxx | 3.482 (2) |
Gd—Al4iv | 3.1069 (11) | Al3—Al5xxviii | 2.7525 (19) |
Gd—Al5iv | 3.1350 (4) | Al3—Al5i | 2.7525 (19) |
Gd—Al5v | 3.1350 (4) | Al3—Al2xvii | 2.802 (3) |
Gd—Al3 | 3.265 (2) | Al3—Al2xv | 2.9139 (19) |
Gd—Al6vi | 3.2650 (6) | Al3—Al2iv | 2.9139 (19) |
Gd—Al6iv | 3.2650 (6) | Al3—Al1ii | 2.919 (2) |
Gd—Al3vii | 3.283 (2) | Al3—Al1i | 2.919 (2) |
Gd—Al1viii | 3.3564 (15) | Al3—Gdvii | 3.283 (2) |
Gd—Al1iv | 3.3564 (15) | Al4—Ta1xxii | 2.716 (2) |
Ta1—Al7ix | 2.6181 (5) | Al4—Al1xv | 2.750 (2) |
Ta1—Al7i | 2.6181 (5) | Al4—Al1xxix | 2.750 (2) |
Ta1—Al4iv | 2.716 (2) | Al4—Al6 | 2.858 (2) |
Ta1—Al4iii | 2.716 (2) | Al4—Al6xiii | 2.858 (2) |
Ta1—Al2x | 2.7168 (19) | Al4—Al1xiii | 2.859 (2) |
Ta1—Al2xi | 2.7168 (19) | Al4—Al4xxx | 2.860 (4) |
Ta1—Al1iv | 2.7490 (14) | Al4—Gdxxxi | 3.1069 (11) |
Ta1—Al1iii | 2.7490 (14) | Al4—Gdxxii | 3.1069 (11) |
Ta1—Al1viii | 2.7490 (14) | Al5—Al3xxviii | 2.7525 (19) |
Ta1—Al1xii | 2.7490 (14) | Al5—Al3xxiv | 2.7525 (19) |
Ta1—Gdxiii | 3.5336 (6) | Al5—Al6xxxii | 2.790 (2) |
Ta2—Al2xiv | 2.7135 (19) | Al5—Al6 | 2.790 (2) |
Ta2—Al2xv | 2.7135 (19) | Al5—Al5xxiii | 2.871 (3) |
Ta2—Al2iv | 2.7135 (19) | Al5—Al5xv | 2.871 (3) |
Ta2—Al2xvi | 2.7135 (19) | Al5—Gdxxii | 3.1350 (4) |
Ta2—Al2xvii | 2.7135 (19) | Al5—Gdxix | 3.1350 (4) |
Ta2—Al2xviii | 2.7135 (19) | Al5—Gdxxviii | 3.4178 (5) |
Ta2—Al3xix | 2.8824 (19) | Al5—Gdxxiv | 3.4178 (5) |
Ta2—Al3xi | 2.8824 (19) | Al6—Al1xv | 2.7335 (15) |
Ta2—Al3 | 2.8824 (19) | Al6—Al1xxiii | 2.7335 (15) |
Ta2—Al3xx | 2.8824 (19) | Al6—Al5xv | 2.790 (2) |
Ta2—Al3v | 2.8824 (19) | Al6—Al5xxiii | 2.790 (2) |
Ta2—Al3xxi | 2.8824 (19) | Al6—Al4xv | 2.858 (2) |
Al1—Al6 | 2.7335 (15) | Al6—Al4xxiii | 2.858 (2) |
Al1—Ta1xxii | 2.7490 (14) | Al6—Gdxx | 3.2650 (6) |
Al1—Al4xxiii | 2.750 (2) | Al6—Gdxxii | 3.2650 (6) |
Al1—Al2xxiii | 2.7611 (18) | Al6—Gdxxiv | 3.2650 (6) |
Al1—Al7xv | 2.858 (2) | Al7—Ta1xxxiii | 2.6181 (5) |
Al1—Al4 | 2.859 (2) | Al7—Ta1xxiv | 2.6181 (5) |
Al1—Al3xxiv | 2.919 (2) | Al7—Al7xx | 2.856 (5) |
Al1—Gdxxiv | 3.0681 (14) | Al7—Al7xi | 2.856 (5) |
Al1—Gdxxii | 3.3564 (15) | Al7—Al1xxxiv | 2.858 (2) |
Al2—Ta2xxii | 2.7135 (19) | Al7—Al1xxxv | 2.858 (2) |
Al2—Ta1xx | 2.7168 (19) | Al7—Al1xxiii | 2.858 (2) |
Al2—Al1xxv | 2.7611 (18) | Al7—Al1xxxvi | 2.858 (2) |
Al2—Al1xv | 2.7611 (18) | Al7—Al2xviii | 2.9548 (19) |
Al2—Al3xxvi | 2.802 (3) | Al7—Al2xxix | 2.9548 (19) |
Al2—Al3xxiii | 2.914 (2) | Al7—Al2xxxvii | 2.9548 (19) |
Al2—Al3xxii | 2.914 (2) | Al7—Al2xv | 2.9548 (19) |
Al1i—Gd—Al1ii | 59.71 (5) | Al1xv—Al2—Gdxx | 63.82 (5) |
Al1i—Gd—Al4iii | 81.66 (5) | Al3xxvi—Al2—Gdxx | 61.86 (6) |
Al1ii—Gd—Al4iii | 52.89 (4) | Al3xxiii—Al2—Gdxx | 93.81 (5) |
Al1i—Gd—Al4iv | 52.89 (4) | Al3xxii—Al2—Gdxx | 93.81 (5) |
Al1ii—Gd—Al4iv | 81.66 (5) | Al7xxiii—Al2—Gdxx | 113.44 (6) |
Al4iii—Gd—Al4iv | 54.81 (7) | Al7xxvii—Al2—Gdxx | 113.44 (6) |
Al1i—Gd—Al5iv | 96.46 (4) | Al5xxviii—Al3—Al5i | 119.43 (8) |
Al1ii—Gd—Al5iv | 150.14 (4) | Al5xxviii—Al3—Al2xvii | 90.01 (5) |
Al4iii—Gd—Al5iv | 147.72 (4) | Al5i—Al3—Al2xvii | 90.01 (5) |
Al4iv—Gd—Al5iv | 98.49 (4) | Al5xxviii—Al3—Ta2 | 115.03 (5) |
Al1i—Gd—Al5v | 150.14 (4) | Al5i—Al3—Ta2 | 115.03 (5) |
Al1ii—Gd—Al5v | 96.46 (4) | Al2xvii—Al3—Ta2 | 57.00 (5) |
Al4iii—Gd—Al5v | 98.49 (4) | Al5xxviii—Al3—Al2xv | 87.73 (4) |
Al4iv—Gd—Al5v | 147.72 (4) | Al5i—Al3—Al2xv | 150.01 (7) |
Al5iv—Gd—Al5v | 98.60 (5) | Al2xvii—Al3—Al2xv | 103.34 (8) |
Al1i—Gd—Al3 | 54.79 (4) | Ta2—Al3—Al2xv | 55.83 (5) |
Al1ii—Gd—Al3 | 54.79 (4) | Al5xxviii—Al3—Al2iv | 150.01 (7) |
Al4iii—Gd—Al3 | 107.02 (5) | Al5i—Al3—Al2iv | 87.73 (4) |
Al4iv—Gd—Al3 | 107.02 (5) | Al2xvii—Al3—Al2iv | 103.34 (8) |
Al5iv—Gd—Al3 | 97.59 (4) | Ta2—Al3—Al2iv | 55.83 (5) |
Al5v—Gd—Al3 | 97.59 (4) | Al2xv—Al3—Al2iv | 63.26 (9) |
Al1i—Gd—Al6vi | 110.40 (3) | Al5xxviii—Al3—Al1ii | 66.34 (4) |
Al1ii—Gd—Al6vi | 51.02 (3) | Al5i—Al3—Al1ii | 120.15 (7) |
Al4iii—Gd—Al6vi | 53.22 (5) | Al2xvii—Al3—Al1ii | 147.81 (4) |
Al4iv—Gd—Al6vi | 107.76 (5) | Ta2—Al3—Al1ii | 112.13 (6) |
Al5iv—Gd—Al6vi | 150.23 (4) | Al2xv—Al3—Al1ii | 56.50 (5) |
Al5v—Gd—Al6vi | 51.63 (4) | Al2iv—Al3—Al1ii | 89.82 (7) |
Al3—Gd—Al6vi | 88.093 (17) | Al5xxviii—Al3—Al1i | 120.15 (7) |
Al1i—Gd—Al6iv | 51.02 (3) | Al5i—Al3—Al1i | 66.34 (4) |
Al1ii—Gd—Al6iv | 110.40 (3) | Al2xvii—Al3—Al1i | 147.81 (4) |
Al4iii—Gd—Al6iv | 107.76 (5) | Ta2—Al3—Al1i | 112.13 (6) |
Al4iv—Gd—Al6iv | 53.22 (5) | Al2xv—Al3—Al1i | 89.82 (7) |
Al5iv—Gd—Al6iv | 51.63 (4) | Al2iv—Al3—Al1i | 56.50 (5) |
Al5v—Gd—Al6iv | 150.23 (4) | Al1ii—Al3—Al1i | 63.10 (7) |
Al3—Gd—Al6iv | 88.093 (17) | Al5xxviii—Al3—Gd | 68.62 (4) |
Al6vi—Gd—Al6iv | 158.13 (7) | Al5i—Al3—Gd | 68.62 (4) |
Al1i—Gd—Al3vii | 146.44 (3) | Al2xvii—Al3—Gd | 133.72 (8) |
Al1ii—Gd—Al3vii | 146.44 (3) | Ta2—Al3—Gd | 169.28 (7) |
Al4iii—Gd—Al3vii | 129.02 (5) | Al2xv—Al3—Gd | 115.65 (6) |
Al4iv—Gd—Al3vii | 129.02 (5) | Al2iv—Al3—Gd | 115.65 (6) |
Al5iv—Gd—Al3vii | 50.73 (3) | Al1ii—Al3—Gd | 59.18 (4) |
Al5v—Gd—Al3vii | 50.73 (3) | Al1i—Al3—Gd | 59.18 (4) |
Al3—Gd—Al3vii | 115.58 (4) | Al5xxviii—Al3—Gdvii | 61.86 (4) |
Al6vi—Gd—Al3vii | 100.54 (3) | Al5i—Al3—Gdvii | 61.86 (4) |
Al6iv—Gd—Al3vii | 100.54 (3) | Al2xvii—Al3—Gdvii | 69.30 (6) |
Al1i—Gd—Al1viii | 133.69 (5) | Ta2—Al3—Gdvii | 126.31 (7) |
Al1ii—Gd—Al1viii | 90.96 (5) | Al2xv—Al3—Gdvii | 148.02 (4) |
Al4iii—Gd—Al1viii | 52.34 (4) | Al2iv—Al3—Gdvii | 148.02 (4) |
Al4iv—Gd—Al1viii | 90.69 (4) | Al1ii—Al3—Gdvii | 113.14 (6) |
Al5iv—Gd—Al1viii | 118.84 (4) | Al1i—Al3—Gdvii | 113.14 (6) |
Al5v—Gd—Al1viii | 57.05 (3) | Gd—Al3—Gdvii | 64.42 (4) |
Al3—Gd—Al1viii | 136.80 (2) | Ta1xxii—Al4—Al1xv | 136.13 (6) |
Al6vi—Gd—Al1viii | 48.74 (3) | Ta1xxii—Al4—Al1xxix | 136.13 (6) |
Al6iv—Gd—Al1viii | 132.04 (4) | Al1xv—Al4—Al1xxix | 68.46 (7) |
Al3vii—Gd—Al1viii | 77.16 (4) | Ta1xxii—Al4—Al6 | 113.20 (5) |
Al1i—Gd—Al1iv | 90.96 (5) | Al1xv—Al4—Al6 | 58.31 (4) |
Al1ii—Gd—Al1iv | 133.69 (5) | Al1xxix—Al4—Al6 | 110.59 (7) |
Al4iii—Gd—Al1iv | 90.69 (4) | Ta1xxii—Al4—Al6xiii | 113.20 (5) |
Al4iv—Gd—Al1iv | 52.34 (4) | Al1xv—Al4—Al6xiii | 110.59 (7) |
Al5iv—Gd—Al1iv | 57.05 (3) | Al1xxix—Al4—Al6xiii | 58.31 (4) |
Al5v—Gd—Al1iv | 118.84 (4) | Al6—Al4—Al6xiii | 102.44 (9) |
Al3—Gd—Al1iv | 136.80 (2) | Ta1xxii—Al4—Al1xiii | 59.02 (5) |
Al6vi—Gd—Al1iv | 132.04 (4) | Al1xv—Al4—Al1xiii | 160.85 (9) |
Al6iv—Gd—Al1iv | 48.74 (3) | Al1xxix—Al4—Al1xiii | 109.64 (6) |
Al3vii—Gd—Al1iv | 77.16 (4) | Al6—Al4—Al1xiii | 107.50 (7) |
Al1viii—Gd—Al1iv | 85.20 (5) | Al6xiii—Al4—Al1xiii | 57.12 (4) |
Al7ix—Ta1—Al7i | 66.11 (12) | Ta1xxii—Al4—Al1 | 59.02 (5) |
Al7ix—Ta1—Al4iv | 178.71 (8) | Al1xv—Al4—Al1 | 109.64 (6) |
Al7i—Ta1—Al4iv | 115.18 (8) | Al1xxix—Al4—Al1 | 160.85 (9) |
Al7ix—Ta1—Al4iii | 115.18 (8) | Al6—Al4—Al1 | 57.12 (4) |
Al7i—Ta1—Al4iii | 178.71 (8) | Al6xiii—Al4—Al1 | 107.50 (7) |
Al4iv—Ta1—Al4iii | 63.54 (8) | Al1xiii—Al4—Al1 | 65.50 (7) |
Al7ix—Ta1—Al2x | 67.23 (4) | Ta1xxii—Al4—Al4xxx | 58.23 (4) |
Al7i—Ta1—Al2x | 67.23 (4) | Al1xv—Al4—Al4xxx | 92.03 (5) |
Al4iv—Ta1—Al2x | 113.11 (4) | Al1xxix—Al4—Al4xxx | 92.03 (5) |
Al4iii—Ta1—Al2x | 113.11 (4) | Al6—Al4—Al4xxx | 128.42 (4) |
Al7ix—Ta1—Al2xi | 67.23 (4) | Al6xiii—Al4—Al4xxx | 128.42 (4) |
Al7i—Ta1—Al2xi | 67.23 (4) | Al1xiii—Al4—Al4xxx | 107.12 (5) |
Al4iv—Ta1—Al2xi | 113.11 (4) | Al1—Al4—Al4xxx | 107.12 (5) |
Al4iii—Ta1—Al2xi | 113.11 (4) | Ta1xxii—Al4—Gdxxxi | 74.38 (4) |
Al2x—Ta1—Al2xi | 125.01 (9) | Al1xv—Al4—Gdxxxi | 122.79 (7) |
Al7ix—Ta1—Al1iv | 117.90 (6) | Al1xxix—Al4—Gdxxxi | 62.83 (4) |
Al7i—Ta1—Al1iv | 64.31 (6) | Al6—Al4—Gdxxxi | 168.56 (7) |
Al4iv—Ta1—Al1iv | 63.09 (4) | Al6xiii—Al4—Gdxxxi | 66.22 (3) |
Al4iii—Ta1—Al1iv | 114.69 (4) | Al1xiii—Al4—Gdxxxi | 68.32 (4) |
Al2x—Ta1—Al1iv | 120.57 (3) | Al1—Al4—Gdxxxi | 126.19 (7) |
Al2xi—Ta1—Al1iv | 60.68 (3) | Al4xxx—Al4—Gdxxxi | 62.60 (3) |
Al7ix—Ta1—Al1iii | 64.31 (6) | Ta1xxii—Al4—Gdxxii | 74.38 (4) |
Al7i—Ta1—Al1iii | 117.90 (6) | Al1xv—Al4—Gdxxii | 62.83 (4) |
Al4iv—Ta1—Al1iii | 114.69 (4) | Al1xxix—Al4—Gdxxii | 122.79 (7) |
Al4iii—Ta1—Al1iii | 63.09 (4) | Al6—Al4—Gdxxii | 66.22 (3) |
Al2x—Ta1—Al1iii | 60.68 (3) | Al6xiii—Al4—Gdxxii | 168.56 (7) |
Al2xi—Ta1—Al1iii | 120.57 (3) | Al1xiii—Al4—Gdxxii | 126.19 (7) |
Al1iv—Ta1—Al1iii | 177.65 (6) | Al1—Al4—Gdxxii | 68.32 (4) |
Al7ix—Ta1—Al1viii | 64.31 (6) | Al4xxx—Al4—Gdxxii | 62.60 (3) |
Al7i—Ta1—Al1viii | 117.90 (6) | Gdxxxi—Al4—Gdxxii | 125.05 (7) |
Al4iv—Ta1—Al1viii | 114.69 (4) | Al3xxviii—Al5—Al3xxiv | 66.65 (8) |
Al4iii—Ta1—Al1viii | 63.09 (4) | Al3xxviii—Al5—Al6xxxii | 110.00 (5) |
Al2x—Ta1—Al1viii | 120.57 (3) | Al3xxiv—Al5—Al6xxxii | 130.62 (5) |
Al2xi—Ta1—Al1viii | 60.68 (3) | Al3xxviii—Al5—Al6 | 130.62 (5) |
Al1iv—Ta1—Al1viii | 111.46 (6) | Al3xxiv—Al5—Al6 | 110.00 (5) |
Al1iii—Ta1—Al1viii | 68.49 (6) | Al6xxxii—Al5—Al6 | 107.08 (8) |
Al7ix—Ta1—Al1xii | 117.90 (6) | Al3xxviii—Al5—Al5xxiii | 168.80 (4) |
Al7i—Ta1—Al1xii | 64.31 (6) | Al3xxiv—Al5—Al5xxiii | 117.79 (4) |
Al4iv—Ta1—Al1xii | 63.09 (4) | Al6xxxii—Al5—Al5xxiii | 59.03 (3) |
Al4iii—Ta1—Al1xii | 114.69 (4) | Al6—Al5—Al5xxiii | 59.03 (3) |
Al2x—Ta1—Al1xii | 60.68 (3) | Al3xxviii—Al5—Al5xv | 117.79 (4) |
Al2xi—Ta1—Al1xii | 120.57 (3) | Al3xxiv—Al5—Al5xv | 168.80 (4) |
Al1iv—Ta1—Al1xii | 68.49 (6) | Al6xxxii—Al5—Al5xv | 59.03 (3) |
Al1iii—Ta1—Al1xii | 111.46 (6) | Al6—Al5—Al5xv | 59.03 (3) |
Al1viii—Ta1—Al1xii | 177.65 (6) | Al5xxiii—Al5—Al5xv | 60.0 |
Al7ix—Ta1—Gd | 121.63 (3) | Al3xxviii—Al5—Gdxxii | 67.41 (4) |
Al7i—Ta1—Gd | 121.63 (3) | Al3xxiv—Al5—Gdxxii | 105.33 (6) |
Al4iv—Ta1—Gd | 57.865 (18) | Al6xxxii—Al5—Gdxxii | 118.85 (3) |
Al4iii—Ta1—Gd | 57.865 (18) | Al6—Al5—Gdxxii | 66.588 (18) |
Al2x—Ta1—Gd | 168.77 (4) | Al5xxiii—Al5—Gdxxii | 118.63 (3) |
Al2xi—Ta1—Gd | 66.23 (4) | Al5xv—Al5—Gdxxii | 69.21 (3) |
Al1iv—Ta1—Gd | 63.14 (3) | Al3xxviii—Al5—Gdxix | 105.33 (6) |
Al1iii—Ta1—Gd | 115.22 (3) | Al3xxiv—Al5—Gdxix | 67.41 (4) |
Al1viii—Ta1—Gd | 63.14 (3) | Al6xxxii—Al5—Gdxix | 66.588 (18) |
Al1xii—Ta1—Gd | 115.22 (3) | Al6—Al5—Gdxix | 118.85 (3) |
Al7ix—Ta1—Gdxiii | 121.63 (3) | Al5xxiii—Al5—Gdxix | 69.21 (3) |
Al7i—Ta1—Gdxiii | 121.63 (3) | Al5xv—Al5—Gdxix | 118.63 (3) |
Al4iv—Ta1—Gdxiii | 57.865 (18) | Gdxxii—Al5—Gdxix | 171.78 (7) |
Al4iii—Ta1—Gdxiii | 57.865 (18) | Al3xxviii—Al5—Gdxxviii | 62.80 (4) |
Al2x—Ta1—Gdxiii | 66.23 (4) | Al3xxiv—Al5—Gdxxviii | 128.36 (6) |
Al2xi—Ta1—Gdxiii | 168.77 (4) | Al6xxxii—Al5—Gdxxviii | 62.506 (15) |
Al1iv—Ta1—Gdxiii | 115.22 (3) | Al6—Al5—Gdxxviii | 110.20 (4) |
Al1iii—Ta1—Gdxiii | 63.14 (3) | Al5xxiii—Al5—Gdxxviii | 110.18 (3) |
Al1viii—Ta1—Gdxiii | 115.22 (3) | Al5xv—Al5—Gdxxviii | 59.04 (3) |
Al1xii—Ta1—Gdxiii | 63.14 (3) | Gdxxii—Al5—Gdxxviii | 64.187 (15) |
Gd—Ta1—Gdxiii | 102.540 (19) | Gdxix—Al5—Gdxxviii | 116.708 (15) |
Al2xiv—Ta2—Al2xv | 180.00 (9) | Al3xxviii—Al5—Gdxxiv | 128.36 (6) |
Al2xiv—Ta2—Al2iv | 111.45 (7) | Al3xxiv—Al5—Gdxxiv | 62.80 (4) |
Al2xv—Ta2—Al2iv | 68.55 (7) | Al6xxxii—Al5—Gdxxiv | 110.20 (4) |
Al2xiv—Ta2—Al2xvi | 68.55 (7) | Al6—Al5—Gdxxiv | 62.506 (15) |
Al2xv—Ta2—Al2xvi | 111.45 (7) | Al5xxiii—Al5—Gdxxiv | 59.04 (3) |
Al2iv—Ta2—Al2xvi | 180.00 (8) | Al5xv—Al5—Gdxxiv | 110.18 (3) |
Al2xiv—Ta2—Al2xvii | 68.55 (7) | Gdxxii—Al5—Gdxxiv | 116.708 (15) |
Al2xv—Ta2—Al2xvii | 111.45 (7) | Gdxix—Al5—Gdxxiv | 64.187 (15) |
Al2iv—Ta2—Al2xvii | 111.45 (7) | Gdxxviii—Al5—Gdxxiv | 168.77 (6) |
Al2xvi—Ta2—Al2xvii | 68.55 (7) | Al1xv—Al6—Al1xxiii | 114.01 (4) |
Al2xiv—Ta2—Al2xviii | 111.45 (7) | Al1xv—Al6—Al1 | 114.01 (4) |
Al2xv—Ta2—Al2xviii | 68.55 (7) | Al1xxiii—Al6—Al1 | 114.01 (4) |
Al2iv—Ta2—Al2xviii | 68.55 (7) | Al1xv—Al6—Al5xv | 68.43 (5) |
Al2xvi—Ta2—Al2xviii | 111.45 (7) | Al1xxiii—Al6—Al5xv | 113.79 (5) |
Al2xvii—Ta2—Al2xviii | 180.00 (8) | Al1—Al6—Al5xv | 124.42 (6) |
Al2xiv—Ta2—Al3xix | 119.99 (6) | Al1xv—Al6—Al5xxiii | 124.42 (6) |
Al2xv—Ta2—Al3xix | 60.01 (6) | Al1xxiii—Al6—Al5xxiii | 68.43 (5) |
Al2iv—Ta2—Al3xix | 117.33 (3) | Al1—Al6—Al5xxiii | 113.79 (5) |
Al2xvi—Ta2—Al3xix | 62.67 (3) | Al5xv—Al6—Al5xxiii | 61.95 (7) |
Al2xvii—Ta2—Al3xix | 62.67 (3) | Al1xv—Al6—Al5 | 113.79 (5) |
Al2xviii—Ta2—Al3xix | 117.33 (3) | Al1xxiii—Al6—Al5 | 124.42 (6) |
Al2xiv—Ta2—Al3xi | 60.01 (6) | Al1—Al6—Al5 | 68.43 (5) |
Al2xv—Ta2—Al3xi | 119.99 (6) | Al5xv—Al6—Al5 | 61.95 (7) |
Al2iv—Ta2—Al3xi | 62.67 (3) | Al5xxiii—Al6—Al5 | 61.95 (7) |
Al2xvi—Ta2—Al3xi | 117.33 (3) | Al1xv—Al6—Al4 | 58.88 (6) |
Al2xvii—Ta2—Al3xi | 117.33 (3) | Al1xxiii—Al6—Al4 | 114.33 (9) |
Al2xviii—Ta2—Al3xi | 62.67 (3) | Al1—Al6—Al4 | 61.47 (5) |
Al3xix—Ta2—Al3xi | 180.00 (15) | Al5xv—Al6—Al4 | 118.87 (4) |
Al2xiv—Ta2—Al3 | 117.33 (3) | Al5xxiii—Al6—Al4 | 175.03 (5) |
Al2xv—Ta2—Al3 | 62.67 (3) | Al5—Al6—Al4 | 113.70 (4) |
Al2iv—Ta2—Al3 | 62.67 (3) | Al1xv—Al6—Al4xv | 61.47 (5) |
Al2xvi—Ta2—Al3 | 117.33 (3) | Al1xxiii—Al6—Al4xv | 58.88 (6) |
Al2xvii—Ta2—Al3 | 60.01 (6) | Al1—Al6—Al4xv | 114.33 (9) |
Al2xviii—Ta2—Al3 | 119.99 (6) | Al5xv—Al6—Al4xv | 113.70 (4) |
Al3xix—Ta2—Al3 | 63.29 (2) | Al5xxiii—Al6—Al4xv | 118.87 (4) |
Al3xi—Ta2—Al3 | 116.71 (2) | Al5—Al6—Al4xv | 175.03 (5) |
Al2xiv—Ta2—Al3xx | 117.33 (3) | Al4—Al6—Al4xv | 65.69 (7) |
Al2xv—Ta2—Al3xx | 62.67 (3) | Al1xv—Al6—Al4xxiii | 114.33 (9) |
Al2iv—Ta2—Al3xx | 119.99 (6) | Al1xxiii—Al6—Al4xxiii | 61.47 (5) |
Al2xvi—Ta2—Al3xx | 60.01 (6) | Al1—Al6—Al4xxiii | 58.88 (6) |
Al2xvii—Ta2—Al3xx | 117.33 (3) | Al5xv—Al6—Al4xxiii | 175.03 (5) |
Al2xviii—Ta2—Al3xx | 62.67 (3) | Al5xxiii—Al6—Al4xxiii | 113.70 (4) |
Al3xix—Ta2—Al3xx | 63.29 (2) | Al5—Al6—Al4xxiii | 118.87 (4) |
Al3xi—Ta2—Al3xx | 116.71 (2) | Al4—Al6—Al4xxiii | 65.69 (7) |
Al3—Ta2—Al3xx | 116.71 (2) | Al4xv—Al6—Al4xxiii | 65.69 (7) |
Al2xiv—Ta2—Al3v | 62.67 (3) | Al1xv—Al6—Gdxx | 67.38 (3) |
Al2xv—Ta2—Al3v | 117.33 (3) | Al1xxiii—Al6—Gdxx | 60.76 (3) |
Al2iv—Ta2—Al3v | 60.01 (6) | Al1—Al6—Gdxx | 173.80 (8) |
Al2xvi—Ta2—Al3v | 119.99 (6) | Al5xv—Al6—Gdxx | 61.78 (3) |
Al2xvii—Ta2—Al3v | 62.67 (3) | Al5xxiii—Al6—Gdxx | 68.22 (3) |
Al2xviii—Ta2—Al3v | 117.33 (3) | Al5—Al6—Gdxx | 116.95 (7) |
Al3xix—Ta2—Al3v | 116.71 (2) | Al4—Al6—Gdxx | 116.66 (6) |
Al3xi—Ta2—Al3v | 63.29 (2) | Al4xv—Al6—Gdxx | 60.55 (3) |
Al3—Ta2—Al3v | 63.29 (2) | Al4xxiii—Al6—Gdxx | 114.94 (5) |
Al3xx—Ta2—Al3v | 180.00 (8) | Al1xv—Al6—Gdxxii | 60.76 (3) |
Al2xiv—Ta2—Al3xxi | 62.67 (3) | Al1xxiii—Al6—Gdxxii | 173.80 (8) |
Al2xv—Ta2—Al3xxi | 117.33 (3) | Al1—Al6—Gdxxii | 67.38 (3) |
Al2iv—Ta2—Al3xxi | 117.33 (3) | Al5xv—Al6—Gdxxii | 68.22 (3) |
Al2xvi—Ta2—Al3xxi | 62.67 (3) | Al5xxiii—Al6—Gdxxii | 116.95 (7) |
Al2xvii—Ta2—Al3xxi | 119.99 (6) | Al5—Al6—Gdxxii | 61.78 (3) |
Al2xviii—Ta2—Al3xxi | 60.01 (6) | Al4—Al6—Gdxxii | 60.55 (3) |
Al3xix—Ta2—Al3xxi | 116.71 (2) | Al4xv—Al6—Gdxxii | 114.94 (5) |
Al3xi—Ta2—Al3xxi | 63.29 (2) | Al4xxiii—Al6—Gdxxii | 116.66 (6) |
Al3—Ta2—Al3xxi | 180.00 (8) | Gdxx—Al6—Gdxxii | 117.43 (2) |
Al3xx—Ta2—Al3xxi | 63.29 (2) | Al1xv—Al6—Gdxxiv | 173.80 (8) |
Al3v—Ta2—Al3xxi | 116.71 (2) | Al1xxiii—Al6—Gdxxiv | 67.38 (3) |
Al6—Al1—Ta1xxii | 116.17 (5) | Al1—Al6—Gdxxiv | 60.76 (3) |
Al6—Al1—Al4xxiii | 62.82 (6) | Al5xv—Al6—Gdxxiv | 116.95 (7) |
Ta1xxii—Al1—Al4xxiii | 107.28 (5) | Al5xxiii—Al6—Gdxxiv | 61.78 (3) |
Al6—Al1—Al2xxiii | 129.31 (7) | Al5—Al6—Gdxxiv | 68.22 (3) |
Ta1xxii—Al1—Al2xxiii | 59.08 (4) | Al4—Al6—Gdxxiv | 114.94 (5) |
Al4xxiii—Al1—Al2xxiii | 163.84 (7) | Al4xv—Al6—Gdxxiv | 116.66 (6) |
Al6—Al1—Al7xv | 161.66 (7) | Al4xxiii—Al6—Gdxxiv | 60.55 (3) |
Ta1xxii—Al1—Al7xv | 55.62 (4) | Gdxx—Al6—Gdxxiv | 117.43 (2) |
Al4xxiii—Al1—Al7xv | 102.30 (7) | Gdxxii—Al6—Gdxxiv | 117.43 (2) |
Al2xxiii—Al1—Al7xv | 63.42 (7) | Ta1xxxiii—Al7—Ta1xxiv | 173.89 (12) |
Al6—Al1—Al4 | 61.41 (6) | Ta1xxxiii—Al7—Al7xx | 56.95 (6) |
Ta1xxii—Al1—Al4 | 57.89 (5) | Ta1xxiv—Al7—Al7xx | 116.95 (6) |
Al4xxiii—Al1—Al4 | 67.06 (8) | Ta1xxxiii—Al7—Al7xi | 116.95 (6) |
Al2xxiii—Al1—Al4 | 107.51 (7) | Ta1xxiv—Al7—Al7xi | 56.95 (6) |
Al7xv—Al1—Al4 | 103.93 (5) | Al7xx—Al7—Al7xi | 60.0 |
Al6—Al1—Al3xxiv | 106.81 (7) | Ta1xxxiii—Al7—Al1xxxiv | 124.62 (7) |
Ta1xxii—Al1—Al3xxiv | 120.11 (6) | Ta1xxiv—Al7—Al1xxxiv | 60.07 (4) |
Al4xxiii—Al1—Al3xxiv | 129.28 (7) | Al7xx—Al7—Al1xxxiv | 146.05 (4) |
Al2xxiii—Al1—Al3xxiv | 61.65 (6) | Al7xi—Al7—Al1xxxiv | 107.17 (5) |
Al7xv—Al1—Al3xxiv | 90.87 (5) | Ta1xxxiii—Al7—Al1xxxv | 60.07 (4) |
Al4—Al1—Al3xxiv | 155.49 (6) | Ta1xxiv—Al7—Al1xxxv | 124.62 (7) |
Al6—Al1—Gdxxiv | 68.21 (3) | Al7xx—Al7—Al1xxxv | 107.17 (5) |
Ta1xxii—Al1—Gdxxiv | 168.37 (6) | Al7xi—Al7—Al1xxxv | 146.05 (4) |
Al4xxiii—Al1—Gdxxiv | 64.28 (4) | Al1xxxiv—Al7—Al1xxxv | 99.02 (10) |
Al2xxiii—Al1—Gdxxiv | 127.64 (6) | Ta1xxxiii—Al7—Al1xxiii | 124.62 (7) |
Al7xv—Al1—Gdxxiv | 116.68 (6) | Ta1xxiv—Al7—Al1xxiii | 60.07 (4) |
Al4—Al1—Gdxxiv | 121.26 (6) | Al7xx—Al7—Al1xxiii | 146.05 (4) |
Al3xxiv—Al1—Gdxxiv | 66.03 (5) | Al7xi—Al7—Al1xxiii | 107.17 (5) |
Al6—Al1—Gdxxii | 63.88 (3) | Al1xxxiv—Al7—Al1xxiii | 65.53 (7) |
Ta1xxii—Al1—Gdxxii | 69.92 (3) | Al1xxxv—Al7—Al1xxiii | 64.60 (7) |
Al4xxiii—Al1—Gdxxii | 116.97 (6) | Ta1xxxiii—Al7—Al1xxxvi | 60.07 (4) |
Al2xxiii—Al1—Gdxxii | 68.60 (5) | Ta1xxiv—Al7—Al1xxxvi | 124.62 (7) |
Al7xv—Al1—Gdxxii | 120.04 (6) | Al7xx—Al7—Al1xxxvi | 107.17 (5) |
Al4—Al1—Gdxxii | 59.34 (4) | Al7xi—Al7—Al1xxxvi | 146.05 (4) |
Al3xxiv—Al1—Gdxxii | 96.38 (4) | Al1xxxiv—Al7—Al1xxxvi | 64.60 (7) |
Gdxxiv—Al1—Gdxxii | 120.53 (4) | Al1xxxv—Al7—Al1xxxvi | 65.53 (7) |
Ta2xxii—Al2—Ta1xx | 166.93 (8) | Al1xxiii—Al7—Al1xxxvi | 99.02 (10) |
Ta2xxii—Al2—Al1xxv | 123.10 (4) | Ta1xxxiii—Al7—Al2xviii | 57.98 (4) |
Ta1xx—Al2—Al1xxv | 60.24 (4) | Ta1xxiv—Al7—Al2xviii | 120.17 (5) |
Ta2xxii—Al2—Al1xv | 123.10 (4) | Al7xx—Al7—Al2xviii | 61.10 (5) |
Ta1xx—Al2—Al1xv | 60.24 (4) | Al7xi—Al7—Al2xviii | 91.94 (6) |
Al1xxv—Al2—Al1xv | 110.73 (8) | Al1xxxiv—Al7—Al2xviii | 152.40 (9) |
Ta2xxii—Al2—Al3xxvi | 62.99 (6) | Al1xxxv—Al7—Al2xviii | 56.68 (4) |
Ta1xx—Al2—Al3xxvi | 130.08 (8) | Al1xxiii—Al7—Al2xviii | 90.20 (4) |
Al1xxv—Al2—Al3xxvi | 96.19 (6) | Al1xxxvi—Al7—Al2xviii | 109.48 (6) |
Al1xv—Al2—Al3xxvi | 96.19 (6) | Ta1xxxiii—Al7—Al2xxix | 120.17 (5) |
Ta2xxii—Al2—Al3xxiii | 61.50 (5) | Ta1xxiv—Al7—Al2xxix | 57.98 (4) |
Ta1xx—Al2—Al3xxiii | 121.44 (5) | Al7xx—Al7—Al2xxix | 91.94 (6) |
Al1xxv—Al2—Al3xxiii | 61.85 (5) | Al7xi—Al7—Al2xxix | 61.10 (5) |
Al1xv—Al2—Al3xxiii | 156.05 (9) | Al1xxxiv—Al7—Al2xxix | 56.68 (4) |
Al3xxvi—Al2—Al3xxiii | 63.86 (5) | Al1xxxv—Al7—Al2xxix | 152.40 (9) |
Ta2xxii—Al2—Al3xxii | 61.50 (5) | Al1xxiii—Al7—Al2xxix | 109.48 (6) |
Ta1xx—Al2—Al3xxii | 121.44 (5) | Al1xxxvi—Al7—Al2xxix | 90.20 (4) |
Al1xxv—Al2—Al3xxii | 156.05 (9) | Al2xviii—Al7—Al2xxix | 149.92 (12) |
Al1xv—Al2—Al3xxii | 61.85 (5) | Ta1xxxiii—Al7—Al2xxxvii | 57.98 (4) |
Al3xxvi—Al2—Al3xxii | 63.86 (5) | Ta1xxiv—Al7—Al2xxxvii | 120.17 (5) |
Al3xxiii—Al2—Al3xxii | 114.73 (10) | Al7xx—Al7—Al2xxxvii | 61.10 (5) |
Ta2xxii—Al2—Al7xxiii | 114.38 (6) | Al7xi—Al7—Al2xxxvii | 91.94 (6) |
Ta1xx—Al2—Al7xxiii | 54.79 (3) | Al1xxxiv—Al7—Al2xxxvii | 90.20 (4) |
Al1xxv—Al2—Al7xxiii | 107.08 (7) | Al1xxxv—Al7—Al2xxxvii | 109.48 (6) |
Al1xv—Al2—Al7xxiii | 59.90 (6) | Al1xxiii—Al7—Al2xxxvii | 152.40 (9) |
Al3xxvi—Al2—Al7xxiii | 151.08 (5) | Al1xxxvi—Al7—Al2xxxvii | 56.68 (4) |
Al3xxiii—Al2—Al7xxiii | 142.93 (8) | Al2xviii—Al7—Al2xxxvii | 109.29 (7) |
Al3xxii—Al2—Al7xxiii | 89.08 (6) | Al2xxix—Al7—Al2xxxvii | 62.29 (7) |
Ta2xxii—Al2—Al7xxvii | 114.38 (6) | Ta1xxxiii—Al7—Al2xv | 120.17 (5) |
Ta1xx—Al2—Al7xxvii | 54.79 (3) | Ta1xxiv—Al7—Al2xv | 57.98 (4) |
Al1xxv—Al2—Al7xxvii | 59.90 (6) | Al7xx—Al7—Al2xv | 91.94 (6) |
Al1xv—Al2—Al7xxvii | 107.08 (7) | Al7xi—Al7—Al2xv | 61.10 (5) |
Al3xxvi—Al2—Al7xxvii | 151.08 (5) | Al1xxxiv—Al7—Al2xv | 109.48 (6) |
Al3xxiii—Al2—Al7xxvii | 89.08 (6) | Al1xxxv—Al7—Al2xv | 90.20 (4) |
Al3xxii—Al2—Al7xxvii | 142.93 (8) | Al1xxiii—Al7—Al2xv | 56.68 (4) |
Al7xxiii—Al2—Al7xxvii | 57.80 (10) | Al1xxxvi—Al7—Al2xv | 152.40 (9) |
Ta2xxii—Al2—Gdxx | 124.85 (6) | Al2xviii—Al7—Al2xv | 62.29 (7) |
Ta1xx—Al2—Gdxx | 68.22 (4) | Al2xxix—Al7—Al2xv | 109.29 (7) |
Al1xxv—Al2—Gdxx | 63.82 (5) | Al2xxxvii—Al7—Al2xv | 149.92 (12) |
Symmetry codes: (i) −y+1, x−y, z; (ii) −x+1, −x+y, z; (iii) x−y+1, −y+1, −z+1/2; (iv) x, y−1, z; (v) y, −x+y, −z; (vi) y, x, z; (vii) −x+1, −y, −z; (viii) x−y+1, −y+1, z; (ix) x+1, y, z; (x) −x+y, −x, −z+1/2; (xi) −x+y, −x, z; (xii) x, y−1, −z+1/2; (xiii) x, y, −z+1/2; (xiv) y−1, −x+y−1, −z; (xv) −y+1, x−y+1, z; (xvi) −x, −y+1, −z; (xvii) x−y+1, x, −z; (xviii) −x+y−1, −x, z; (xix) x−y, x, −z; (xx) −y, x−y, z; (xxi) −x, −y, −z; (xxii) x, y+1, z; (xxiii) −x+y, −x+1, z; (xxiv) −x+y+1, −x+1, z; (xxv) y−1, x, z; (xxvi) y, −x+y+1, −z; (xxvii) −y, x−y+1, z; (xxviii) −x+1, −y+1, −z; (xxix) −y+1, x−y+1, −z+1/2; (xxx) x−y+1, −y+2, −z+1/2; (xxxi) x, y+1, −z+1/2; (xxxii) −y+1, −x+1, −z; (xxxiii) x−1, y, z; (xxxiv) −x+y, −x+1, −z+1/2; (xxxv) x−y, −y+1, z; (xxxvi) x−y, −y+1, −z+1/2; (xxxvii) −x+y−1, −x, −z+1/2. |