data_PCOD1532426
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V8B2O23        PCOD1532426 R =  0.0112
Probable space group: P 42 M C
;
_chemical_formula_sum  "V8 B2 O23"
_cell_formula_units_Z    2
_cell_length_a         13.9754
_cell_length_b         13.9754
_cell_length_c          9.8965
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1932.90
_symmetry_space_group_name_H-M   "P 1"
_symmetry_Int_Tables_number  1
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
V1      0.87522   0.85293   0.08715
V2      0.12646   0.15095   0.08649
V3      0.15073   0.87539   0.59519
V4      0.85586   0.12229   0.58361
V5      0.87969   0.15109   0.08794
V6      0.12251   0.85701   0.09269
V7      0.14674   0.12222   0.59115
V8      0.84956   0.87610   0.58788
V9      0.75054   0.00050   0.32572
V10     -0.74928  -0.00027   0.32948
V11      0.00314   0.74823   0.82593
V12      0.00041  -0.74452   0.82373
B13      0.60043   0.00829   0.08618
B14     -0.59610   0.00090   0.09791
B15     -0.00032   0.60265   0.58414
B16      0.00023  -0.59395   0.58784
V17     -0.74324   0.00421  -0.14442
V18      0.74881   0.00433  -0.14996
V19      0.00469  -0.74519   0.35000
V20     -0.00291   0.75388   0.35110
O1      0.99800   0.89864   0.09088
O2      0.90966   0.76270   0.21300
O3      0.79648   0.90505   0.21534
O4      0.80154   0.91275  -0.03953
O5      0.91095   0.76635  -0.04282
O6      0.18915   0.08483   0.21900
O7      0.21099   0.10092  -0.03567
O8      0.00306   0.10664   0.08727
O9      0.09397   0.23958   0.21519
O10      0.08901   0.23894  -0.04062
O11      0.10082   0.79028   0.71657
O12      0.08072   0.81553   0.46409
O13      0.10437   0.99816   0.59548
O14      0.23673   0.91021   0.46426
O15      0.23808   0.91271   0.72327
O16      0.76350   0.09113   0.45930
O17      0.89741  -0.00195   0.58184
O18      0.76810   0.09198   0.71455
O19      0.91349   0.19894   0.70978
O20      0.91439   0.19493   0.45474
O21      0.82205   0.08284   0.22276
O22      0.80127   0.09289  -0.03470
O23      0.91605   0.24059   0.21354
O24      0.91039   0.23865  -0.04314
O25      0.08895   0.76752   0.21993
O26      0.08876   0.76846  -0.03582
O27      0.20736   0.90557   0.21567
O28      0.18443   0.92435  -0.03863
O29      0.23589   0.08907   0.46408
O30      0.09268   0.20237   0.71579
O31      0.09354   0.19947   0.46172
O32      0.23690   0.09086   0.71836
O33      0.92201   0.81721   0.71743
O34      0.90080   0.79505   0.46247
O35      0.76006   0.91129   0.46158
O36      0.76386   0.91372   0.71708
O37      0.65249   0.01502   0.20385
O38     -0.64408   0.00956   0.21881
O39     -0.01036   0.64869   0.70615
O40      0.00028  -0.64001   0.71094
O41      0.64351   0.00410  -0.03874
O42      0.50220   0.00514   0.09513
O43     -0.64522  -0.00915  -0.02177
O44      0.00795   0.64952   0.46245
O45      0.00131   0.50426   0.58400
O46     -0.00055  -0.64451   0.46881
#
#_symmetry_space_group_name_H-M  P 42 M C
#_symmetry_Int_Tables_number  105
#
#   Starting Wyckoff positions:
#
#    1     8f     0.8687   0.8516   0.0971
#    2     4d     0.7597   0.0000   0.3245
#    3     4d     0.6036   0.0000   0.0630
#    4     4d    -0.7084   0.0000  -0.1644
#
#   Coordination Sequence :
#
# PCOD1532426 V8B2O23         R =  0.0112  105
#   3
#   8  8  4
#    5  12  17  21  32  58  86  93 120 138
#    5  11  19  21  35  55  77 107 114 149
#    3   8  18  32  35  38  59  98 146 160
#
#_framework_density   10.35
#
