Download citation
Download citation
link to html
Using electrodeposition from a bath of molten fluorides, single crystals of tetragonal β-tantalum have been obtained for the first time at normal pressure. The unit-cell parameters are a = 10.211 (3), c = 5.3064 (10) Å, space group P\bar 421m. The β-Ta structure belongs to the σ-type Frank–Kasper structures which are typical for binary intermetallic compounds and β-U. In comparison to the σ-type, additional intercalated Ta atoms (population factor ∼0.01) have been detected between the atoms located in the channels of the structure. The shorter interatomic distances observed between the channel atoms in comparison with the atoms of the framework justify the `self-hosting' characteristic. β-Ta exhibits common features with the complex tetragonal structures of the high-pressure phases for the elements Rb, Ba, Sr, Bi and Sb.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768101017918/os0079sup1.cif
Contains datablock Ta-tetragonal

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768101017918/os0079sup2.hkl
Supplementary material

Computing details top

Data collection: Oxford Diffraction Ltd, 2001. CrysAlis Software System, Vertion 1.166. Oxford. England.; cell refinement: CRYSALIS DATA REDUCTION (KM4 Software, Version 1.164 (release 08.06.00 CrysAlis164)); data reduction: CRYSALIS DATA REDUCTION (KM4 Software, Version 1.164 (release 08.06.00 CrysAlis164)); program(s) used to refine structure: Jana2000 (V.Petricek & M.Dusek, 2001).

(Ta-tetragonal) top
Crystal data top
Ta30Dx = 16.287 Mg m3
Mr = 5428.4Mo Kα radiation, λ = 0.71069 Å
Tetragonal, P421mCell parameters from 2054 reflections
a = 10.211 (3) Åθ = 3.8–51.7°
c = 5.3064 (10) ŵ = 147.48 mm1
V = 553.3 (2) Å3T = 295 K
Z = 1Isometric, silver
F(000) = 21900.02 × 0.02 × 0.02 × 0.02 (radius) mm
Data collection top
KM4CCD
diffractometer
1398 reflections with 5
ο scansRint = 0.145
Absorption correction: for a sphereθmax = 51.9°, θmin = 3.8°
Tmin = 0.028, Tmax = 0.086h = 1515
15963 measured reflectionsk = 2121
3114 independent reflectionsl = 011
Refinement top
Refinement on FSecondary atom site location: difference Fourier map
Least-squares matrix: fullWeighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2)
R[F2 > 2σ(F2)] = 0.057(Δ/σ)max = 0.006
wR(F2) = 0.030Δρmax = 19.99 e Å3
S = 3.88Δρmin = 11.39 e Å3
1398 reflectionsExtinction correction: B-C type 1 Gaussian isotropic
230 parametersExtinction coefficient: 0.00150 (13)
Primary atom site location: Paterson function
Special details top

Refinement. The unit cell parameters were refined from 2054 diffraction reflections with F2 > 7σ(F2). Taken into account high values of R(avr)(see 'diffraction special details'), only the most strong unequal reflections were used for the structure refinement. The number 1398F > 5σ(F) has provided the ratio reflections to parameters > 6. The estimated number of unequal reflections is 3300 for the -42m point group. The number of measured unequal reflection is 3114F > 1.17σ(F). The full matrix refinement with anharmonic thermal displacement (Gram-Charlier expansion up to 5th rang) was performed for 6 Ta positions up to R = 0.0566 (s = 3.64) Unusual high maximum of difference electron density (20 e/A3) is interpreted as additional intercalated Ta atom: Ta7 - (x, y, z, q, B) = (0.829, 0.329, 0.247, 0.011 (2), 1.0). Including Ta7 in the refinement leads to decrease of the maximum difference density to 14.22 e/A3, R to 0.0560 and s to 3.61. Checking Fourier synthesis F(cal) does not show additional Ta7 position.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ta10.500.228 (2)0.0132 (11)
Ta50.8142 (6)0.3142 (6)0.0026 (14)0.0195 (13)
Ta30.0343 (3)0.1267 (4)0.2546 (15)0.0291 (12)
Ta40.6033 (4)0.1033 (4)0.764 (2)0.0279 (7)
Ta20.7598 (3)0.0677 (3)0.2350 (12)0.0152 (7)
Ta60.3196 (5)0.1804 (5)0.4912 (12)0.0194 (15)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ta10.0152 (16)0.0152 (16)0.009 (2)0.005 (2)00
Ta50.017 (2)0.017 (2)0.024 (3)0.008 (2)0.0067 (15)0.0067 (15)
Ta30.0202 (17)0.0178 (18)0.049 (2)0.0071 (12)0.016 (2)0.018 (2)
Ta40.0194 (16)0.0194 (16)0.0447350.0035 (18)0.013 (2)0.013 (2)
Ta20.0145 (12)0.0187 (12)0.0123 (13)0.0024 (8)0.0006 (17)0.0004 (18)
Ta60.018 (2)0.018 (2)0.021 (3)0.002 (2)0.0054 (17)0.0054 (17)
Geometric parameters (Å, º) top
Ta1—Ta5i2.948 (8)Ta5—Ta6xvi2.687 (10)
Ta1—Ta5ii2.948 (8)Ta3—Ta3xvii3.300 (10)
Ta1—Ta4iii2.876 (14)Ta3—Ta3xviii3.222 (10)
Ta1—Ta43.214 (15)Ta3—Ta3xix2.681 (5)
Ta1—Ta4iv2.876 (14)Ta3—Ta3xx3.300 (10)
Ta1—Ta4v3.214 (15)Ta3—Ta3xxi3.222 (10)
Ta1—Ta22.742 (3)Ta3—Ta4xxii2.847 (6)
Ta1—Ta2v2.742 (3)Ta3—Ta2xxiii2.868 (5)
Ta1—Ta2vi2.742 (3)Ta3—Ta2i2.865 (9)
Ta1—Ta2vii2.742 (3)Ta3—Ta2xxii2.966 (9)
Ta1—Ta62.956 (8)Ta3—Ta2v2.894 (5)
Ta1—Ta6v2.956 (8)Ta3—Ta63.220 (7)
Ta5—Ta3viii3.240 (8)Ta3—Ta6xxiv3.241 (7)
Ta5—Ta3ix3.224 (8)Ta4—Ta4v2.982 (6)
Ta5—Ta3x3.224 (8)Ta4—Ta23.252 (12)
Ta5—Ta3xi3.240 (8)Ta4—Ta2xxv2.988 (12)
Ta5—Ta4iii3.298 (9)Ta4—Ta2vii3.252 (12)
Ta5—Ta4xii3.310 (9)Ta4—Ta2xxvi2.988 (12)
Ta5—Ta4xiii3.310 (9)Ta4—Ta63.332 (9)
Ta5—Ta22.858 (7)Ta4—Ta6xvi3.406 (9)
Ta5—Ta2xiv2.977 (7)Ta4—Ta6v3.332 (9)
Ta5—Ta2xv2.977 (7)Ta2—Ta2vii2.775 (5)
Ta5—Ta2vii2.858 (7)Ta2—Ta6xvi3.017 (7)
Ta5—Ta6ix2.622 (10)Ta2—Ta6v2.987 (7)
Ta5i—Ta1—Ta5ii131.0 (4)Ta4xiii—Ta5—Ta2vii103.7 (2)
Ta5i—Ta1—Ta4iii69.2 (2)Ta4xiii—Ta5—Ta6ix110.4 (3)
Ta5i—Ta1—Ta4111.5 (2)Ta4xiii—Ta5—Ta6xvi66.6 (2)
Ta5i—Ta1—Ta4iv69.2 (2)Ta2—Ta5—Ta2xiv97.4 (2)
Ta5i—Ta1—Ta4v111.5 (2)Ta2—Ta5—Ta2xv154.1 (2)
Ta5i—Ta1—Ta2117.8 (2)Ta2—Ta5—Ta2vii58.09 (16)
Ta5i—Ta1—Ta2v62.96 (16)Ta2—Ta5—Ta6ix117.0 (3)
Ta5i—Ta1—Ta2vi117.8 (2)Ta2—Ta5—Ta6xvi65.8 (2)
Ta5i—Ta1—Ta2vii62.96 (16)Ta2xiv—Ta5—Ta297.4 (2)
Ta5i—Ta1—Ta652.72 (19)Ta2xiv—Ta5—Ta2xv105.2 (2)
Ta5i—Ta1—Ta6v176.3 (4)Ta2xiv—Ta5—Ta2vii154.1 (2)
Ta5ii—Ta1—Ta5i131.0 (4)Ta2xiv—Ta5—Ta6ix64.1 (2)
Ta5ii—Ta1—Ta4iii69.2 (2)Ta2xiv—Ta5—Ta6xvi114.2 (2)
Ta5ii—Ta1—Ta4111.5 (2)Ta2xv—Ta5—Ta2154.1 (2)
Ta5ii—Ta1—Ta4iv69.2 (2)Ta2xv—Ta5—Ta2xiv105.2 (2)
Ta5ii—Ta1—Ta4v111.5 (2)Ta2xv—Ta5—Ta2vii97.4 (2)
Ta5ii—Ta1—Ta262.96 (16)Ta2xv—Ta5—Ta6ix64.1 (2)
Ta5ii—Ta1—Ta2v117.8 (2)Ta2xv—Ta5—Ta6xvi114.2 (2)
Ta5ii—Ta1—Ta2vi62.96 (16)Ta2vii—Ta5—Ta258.09 (16)
Ta5ii—Ta1—Ta2vii117.8 (2)Ta2vii—Ta5—Ta2xiv154.1 (2)
Ta5ii—Ta1—Ta6176.3 (4)Ta2vii—Ta5—Ta2xv97.4 (2)
Ta5ii—Ta1—Ta6v52.72 (19)Ta2vii—Ta5—Ta6ix117.0 (3)
Ta4iii—Ta1—Ta4121.1 (2)Ta2vii—Ta5—Ta6xvi65.8 (2)
Ta4iii—Ta1—Ta4iv62.5 (3)Ta6ix—Ta5—Ta6xvi176.6 (3)
Ta4iii—Ta1—Ta4v176.4 (2)Ta6xvi—Ta5—Ta6ix176.6 (3)
Ta4iii—Ta1—Ta264.2 (2)Ta3xvii—Ta3—Ta3xviii108.89 (18)
Ta4iii—Ta1—Ta2v117.3 (3)Ta3xvii—Ta3—Ta3xix66.0 (2)
Ta4iii—Ta1—Ta2vi117.3 (3)Ta3xvii—Ta3—Ta3xx47.93 (16)
Ta4iii—Ta1—Ta2vii64.2 (2)Ta3xvii—Ta3—Ta3xxi131.44 (18)
Ta4iii—Ta1—Ta6113.9 (2)Ta3xvii—Ta3—Ta4xxii112.5 (3)
Ta4iii—Ta1—Ta6v113.9 (2)Ta3xvii—Ta3—Ta2xxiii98.4 (2)
Ta4—Ta1—Ta4iii121.1 (2)Ta3xvii—Ta3—Ta2i54.91 (18)
Ta4—Ta1—Ta4iv176.4 (2)Ta3xvii—Ta3—Ta2xxii155.40 (19)
Ta4—Ta1—Ta4v55.3 (2)Ta3xvii—Ta3—Ta2v54.62 (19)
Ta4—Ta1—Ta265.6 (2)Ta3xvii—Ta3—Ta698.34 (18)
Ta4—Ta1—Ta2v112.8 (3)Ta3xvii—Ta3—Ta6xxiv146.8 (2)
Ta4—Ta1—Ta2vi112.8 (3)Ta3xviii—Ta3—Ta3xvii108.89 (18)
Ta4—Ta1—Ta2vii65.6 (2)Ta3xviii—Ta3—Ta3xix65.4 (2)
Ta4—Ta1—Ta665.2 (2)Ta3xviii—Ta3—Ta3xx131.44 (18)
Ta4—Ta1—Ta6v65.2 (2)Ta3xviii—Ta3—Ta3xxi49.18 (16)
Ta4iv—Ta1—Ta4iii62.5 (3)Ta3xviii—Ta3—Ta4xxii116.7 (3)
Ta4iv—Ta1—Ta4176.4 (2)Ta3xviii—Ta3—Ta2xxiii102.0 (2)
Ta4iv—Ta1—Ta4v121.1 (2)Ta3xviii—Ta3—Ta2i154.8 (2)
Ta4iv—Ta1—Ta2117.3 (3)Ta3xviii—Ta3—Ta2xxii55.05 (18)
Ta4iv—Ta1—Ta2v64.2 (2)Ta3xviii—Ta3—Ta2v57.72 (19)
Ta4iv—Ta1—Ta2vi64.2 (2)Ta3xviii—Ta3—Ta660.41 (17)
Ta4iv—Ta1—Ta2vii117.3 (3)Ta3xviii—Ta3—Ta6xxiv99.9 (2)
Ta4iv—Ta1—Ta6113.9 (2)Ta3xix—Ta3—Ta3xvii66.0 (2)
Ta4iv—Ta1—Ta6v113.9 (2)Ta3xix—Ta3—Ta3xviii65.4 (2)
Ta4v—Ta1—Ta4iii176.4 (2)Ta3xix—Ta3—Ta3xx66.0 (2)
Ta4v—Ta1—Ta455.3 (2)Ta3xix—Ta3—Ta3xxi65.4 (2)
Ta4v—Ta1—Ta4iv121.1 (2)Ta3xix—Ta3—Ta4xxii177.8 (4)
Ta4v—Ta1—Ta2112.8 (3)Ta3xix—Ta3—Ta2xxiii62.75 (14)
Ta4v—Ta1—Ta2v65.6 (2)Ta3xix—Ta3—Ta2i114.9 (3)
Ta4v—Ta1—Ta2vi65.6 (2)Ta3xix—Ta3—Ta2xxii114.0 (3)
Ta4v—Ta1—Ta2vii112.8 (3)Ta3xix—Ta3—Ta2v61.79 (14)
Ta4v—Ta1—Ta665.2 (2)Ta3xix—Ta3—Ta6113.6 (2)
Ta4v—Ta1—Ta6v65.2 (2)Ta3xix—Ta3—Ta6xxiv114.2 (2)
Ta2—Ta1—Ta2v178.4 (5)Ta3xx—Ta3—Ta3xvii47.93 (16)
Ta2—Ta1—Ta2vi119.18 (11)Ta3xx—Ta3—Ta3xviii131.44 (18)
Ta2—Ta1—Ta2vii60.80 (11)Ta3xx—Ta3—Ta3xix66.0 (2)
Ta2—Ta1—Ta6116.0 (2)Ta3xx—Ta3—Ta3xxi108.89 (18)
Ta2—Ta1—Ta6v63.10 (16)Ta3xx—Ta3—Ta4xxii111.8 (3)
Ta2v—Ta1—Ta2178.4 (5)Ta3xx—Ta3—Ta2xxiii54.80 (19)
Ta2v—Ta1—Ta2vi60.80 (11)Ta3xx—Ta3—Ta2i55.44 (19)
Ta2v—Ta1—Ta2vii119.18 (11)Ta3xx—Ta3—Ta2xxii156.45 (19)
Ta2v—Ta1—Ta663.10 (16)Ta3xx—Ta3—Ta2v97.8 (2)
Ta2v—Ta1—Ta6v116.0 (2)Ta3xx—Ta3—Ta6145.0 (2)
Ta2vi—Ta1—Ta2119.18 (11)Ta3xx—Ta3—Ta6xxiv100.24 (18)
Ta2vi—Ta1—Ta2v60.80 (11)Ta3xxi—Ta3—Ta3xvii131.44 (18)
Ta2vi—Ta1—Ta2vii178.4 (5)Ta3xxi—Ta3—Ta3xviii49.18 (16)
Ta2vi—Ta1—Ta6116.0 (2)Ta3xxi—Ta3—Ta3xix65.4 (2)
Ta2vi—Ta1—Ta6v63.10 (16)Ta3xxi—Ta3—Ta3xx108.89 (18)
Ta2vii—Ta1—Ta260.80 (11)Ta3xxi—Ta3—Ta4xxii116.0 (3)
Ta2vii—Ta1—Ta2v119.18 (11)Ta3xxi—Ta3—Ta2xxiii57.93 (19)
Ta2vii—Ta1—Ta2vi178.4 (5)Ta3xxi—Ta3—Ta2i155.9 (2)
Ta2vii—Ta1—Ta663.10 (16)Ta3xxi—Ta3—Ta2xxii55.58 (19)
Ta2vii—Ta1—Ta6v116.0 (2)Ta3xxi—Ta3—Ta2v101.5 (2)
Ta6—Ta1—Ta6v123.5 (4)Ta3xxi—Ta3—Ta6101.3 (2)
Ta6v—Ta1—Ta6123.5 (4)Ta3xxi—Ta3—Ta6xxiv59.77 (17)
Ta3viii—Ta5—Ta3ix154.1 (2)Ta4xxii—Ta3—Ta2xxiii116.37 (18)
Ta3viii—Ta5—Ta3x61.4 (2)Ta4xxii—Ta3—Ta2i63.1 (3)
Ta3viii—Ta5—Ta3xi130.5 (3)Ta4xxii—Ta3—Ta2xxii68.0 (3)
Ta3viii—Ta5—Ta4iii103.0 (2)Ta4xxii—Ta3—Ta2v118.89 (18)
Ta3viii—Ta5—Ta4xii51.52 (15)Ta4xxii—Ta3—Ta668.0 (2)
Ta3viii—Ta5—Ta4xiii101.3 (2)Ta4xxii—Ta3—Ta6xxiv66.0 (2)
Ta3viii—Ta5—Ta255.69 (15)Ta2xxiii—Ta3—Ta2i99.7 (2)
Ta3viii—Ta5—Ta2xiv54.7 (2)Ta2xxiii—Ta3—Ta2xxii103.2 (2)
Ta3viii—Ta5—Ta2xv149.8 (2)Ta2xxiii—Ta3—Ta2v124.36 (18)
Ta3viii—Ta5—Ta2vii108.5 (2)Ta2xxiii—Ta3—Ta6159.1 (3)
Ta3viii—Ta5—Ta6ix114.2 (2)Ta2xxiii—Ta3—Ta6xxiv58.81 (16)
Ta3viii—Ta5—Ta6xvi65.5 (2)Ta2i—Ta3—Ta2xxiii99.7 (2)
Ta3ix—Ta5—Ta3viii154.1 (2)Ta2i—Ta3—Ta2xxii131.03 (19)
Ta3ix—Ta5—Ta3x98.8 (2)Ta2i—Ta3—Ta2v99.1 (2)
Ta3ix—Ta5—Ta3xi61.4 (2)Ta2i—Ta3—Ta6100.2 (2)
Ta3ix—Ta5—Ta4iii51.75 (16)Ta2i—Ta3—Ta6xxiv102.3 (2)
Ta3ix—Ta5—Ta4xii154.3 (2)Ta2xxii—Ta3—Ta2xxiii103.2 (2)
Ta3ix—Ta5—Ta4xiii102.5 (2)Ta2xxii—Ta3—Ta2i131.03 (19)
Ta3ix—Ta5—Ta2100.1 (2)Ta2xxii—Ta3—Ta2v102.5 (2)
Ta3ix—Ta5—Ta2xiv129.7 (3)Ta2xxii—Ta3—Ta658.21 (18)
Ta3ix—Ta5—Ta2xv55.46 (15)Ta2xxii—Ta3—Ta6xxiv57.33 (17)
Ta3ix—Ta5—Ta2vii55.8 (2)Ta2v—Ta3—Ta2xxiii124.36 (18)
Ta3ix—Ta5—Ta6ix65.9 (2)Ta2v—Ta3—Ta2i99.1 (2)
Ta3ix—Ta5—Ta6xvi115.9 (2)Ta2v—Ta3—Ta2xxii102.5 (2)
Ta3x—Ta5—Ta3viii61.4 (2)Ta2v—Ta3—Ta658.20 (16)
Ta3x—Ta5—Ta3ix98.8 (2)Ta2v—Ta3—Ta6xxiv157.4 (3)
Ta3x—Ta5—Ta3xi154.1 (2)Ta6—Ta3—Ta6xxiv110.3 (2)
Ta3x—Ta5—Ta4iii51.75 (16)Ta6xxiv—Ta3—Ta6110.3 (2)
Ta3x—Ta5—Ta4xii102.5 (2)Ta4v—Ta4—Ta2105.6 (3)
Ta3x—Ta5—Ta4xiii154.3 (2)Ta4v—Ta4—Ta2xxv107.0 (3)
Ta3x—Ta5—Ta255.8 (2)Ta4v—Ta4—Ta2vii105.6 (3)
Ta3x—Ta5—Ta2xiv55.46 (15)Ta4v—Ta4—Ta2xxvi107.0 (3)
Ta3x—Ta5—Ta2xv129.7 (3)Ta4v—Ta4—Ta663.4 (2)
Ta3x—Ta5—Ta2vii100.1 (2)Ta4v—Ta4—Ta6xvi156.5 (5)
Ta3x—Ta5—Ta6ix65.9 (2)Ta4v—Ta4—Ta6v63.4 (2)
Ta3x—Ta5—Ta6xvi115.9 (2)Ta2—Ta4—Ta2xxv116.45 (19)
Ta3xi—Ta5—Ta3viii130.5 (3)Ta2—Ta4—Ta2vii50.5 (2)
Ta3xi—Ta5—Ta3ix61.4 (2)Ta2—Ta4—Ta2xxvi147.3 (2)
Ta3xi—Ta5—Ta3x154.1 (2)Ta2—Ta4—Ta694.5 (3)
Ta3xi—Ta5—Ta4iii103.0 (2)Ta2—Ta4—Ta6xvi53.8 (2)
Ta3xi—Ta5—Ta4xii101.3 (2)Ta2—Ta4—Ta6v53.9 (2)
Ta3xi—Ta5—Ta4xiii51.52 (15)Ta2xxv—Ta4—Ta2116.45 (19)
Ta3xi—Ta5—Ta2108.5 (2)Ta2xxv—Ta4—Ta2vii147.3 (2)
Ta3xi—Ta5—Ta2xiv149.8 (2)Ta2xxv—Ta4—Ta2xxvi55.3 (2)
Ta3xi—Ta5—Ta2xv54.7 (2)Ta2xxv—Ta4—Ta6149.0 (3)
Ta3xi—Ta5—Ta2vii55.69 (15)Ta2xxv—Ta4—Ta6xvi93.7 (2)
Ta3xi—Ta5—Ta6ix114.2 (2)Ta2xxv—Ta4—Ta6v97.5 (2)
Ta3xi—Ta5—Ta6xvi65.5 (2)Ta2vii—Ta4—Ta250.5 (2)
Ta4iii—Ta5—Ta4xii153.1 (2)Ta2vii—Ta4—Ta2xxv147.3 (2)
Ta4iii—Ta5—Ta4xiii153.1 (2)Ta2vii—Ta4—Ta2xxvi116.45 (19)
Ta4iii—Ta5—Ta257.5 (2)Ta2vii—Ta4—Ta653.9 (2)
Ta4iii—Ta5—Ta2xiv103.9 (2)Ta2vii—Ta4—Ta6xvi53.8 (2)
Ta4iii—Ta5—Ta2xv103.9 (2)Ta2vii—Ta4—Ta6v94.5 (3)
Ta4iii—Ta5—Ta2vii57.5 (2)Ta2xxvi—Ta4—Ta2147.3 (2)
Ta4iii—Ta5—Ta6ix69.2 (2)Ta2xxvi—Ta4—Ta2xxv55.3 (2)
Ta4iii—Ta5—Ta6xvi114.2 (3)Ta2xxvi—Ta4—Ta2vii116.45 (19)
Ta4xii—Ta5—Ta4iii153.1 (2)Ta2xxvi—Ta4—Ta697.5 (2)
Ta4xii—Ta5—Ta4xiii53.55 (16)Ta2xxvi—Ta4—Ta6xvi93.7 (2)
Ta4xii—Ta5—Ta2103.7 (2)Ta2xxvi—Ta4—Ta6v149.0 (3)
Ta4xii—Ta5—Ta2xiv56.5 (2)Ta6—Ta4—Ta6xvi103.7 (2)
Ta4xii—Ta5—Ta2xv99.4 (2)Ta6—Ta4—Ta6v102.8 (3)
Ta4xii—Ta5—Ta2vii132.4 (3)Ta6xvi—Ta4—Ta6103.7 (2)
Ta4xii—Ta5—Ta6ix110.4 (3)Ta6xvi—Ta4—Ta6v103.7 (2)
Ta4xii—Ta5—Ta6xvi66.6 (2)Ta6v—Ta4—Ta6102.8 (3)
Ta4xiii—Ta5—Ta4iii153.1 (2)Ta6v—Ta4—Ta6xvi103.7 (2)
Ta4xiii—Ta5—Ta4xii53.55 (16)Ta2vii—Ta2—Ta6xvi62.63 (17)
Ta4xiii—Ta5—Ta2132.4 (3)Ta2vii—Ta2—Ta6v114.1 (2)
Ta4xiii—Ta5—Ta2xiv99.4 (2)Ta6xvi—Ta2—Ta6v124.0 (2)
Ta4xiii—Ta5—Ta2xv56.5 (2)Ta6v—Ta2—Ta6xvi124.0 (2)
Symmetry codes: (i) y, x+1, z; (ii) y+1, x1, z; (iii) x, y, z1; (iv) x+1, y, z1; (v) x+1, y, z; (vi) y+1/2, x+1/2, z; (vii) y+1/2, x1/2, z; (viii) x+1, y, z; (ix) x+1/2, y+1/2, z; (x) y+1, x, z; (xi) y+1/2, x+1/2, z; (xii) y+1, x+1, z+1; (xiii) y+1, x, z+1; (xiv) y+1, x+1, z; (xv) x+3/2, y+1/2, z; (xvi) x+1/2, y+1/2, z+1; (xvii) y, x, z; (xviii) y, x, z+1; (xix) x, y, z; (xx) y, x, z; (xxi) y, x, z+1; (xxii) y, x+1, z+1; (xxiii) x1, y, z; (xxiv) x1/2, y+1/2, z+1; (xxv) x, y, z+1; (xxvi) y+1/2, x1/2, z+1.
 

Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds