data_PCOD1530942
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V8B2O23        PCOD1530942 R =  0.0116
Probable space group: P 4 M M
;
_chemical_formula_sum  "V8 B2 O23"
_cell_formula_units_Z    2
_cell_length_a         14.3888
_cell_length_b         14.3888
_cell_length_c          8.4630
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1752.15
_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      0.17606   0.00099   0.69271
V2      0.83068   0.00078   0.69015
V3      0.00400   0.17407   0.68999
V4      0.00101   0.82532   0.69587
V5      0.29585   0.11753   0.39177
V6     -0.29312  -0.11909   0.40006
V7     -0.11969   0.29410   0.38970
V8      0.12079  -0.29561   0.40372
V9      0.29488  -0.12291   0.39780
V10     -0.29251   0.12263   0.39595
V11     -0.12003  -0.29544   0.40449
V12      0.12217   0.29146   0.38690
V13     -0.17503  -0.00147   0.09630
V14      0.17295  -0.00253   0.10106
V15     -0.00305  -0.17609   0.10568
V16      0.00104   0.16916   0.09566
B17      0.09913   0.49738   0.40585
B18     -0.09272   0.49939   0.40851
B19      0.50140   0.09390   0.38857
B20      0.50047  -0.09771   0.39224
O1      0.09425   0.09211   0.75200
O2      0.23841   0.08945   0.57910
O3      0.23639  -0.09018   0.58223
O4      0.08727  -0.08538   0.74200
O5      0.21631  -0.00748   0.89784
O6      0.91800   0.08647   0.74863
O7      0.76406  -0.08876   0.58666
O8      0.77586   0.09153   0.57080
O9      0.78382   0.00093   0.89139
O10      0.91130  -0.09066   0.75180
O11     -0.08396   0.21840   0.55264
O12      0.09308   0.23471   0.57432
O13     -0.00004   0.21616   0.89449
O14      0.09189   0.76137   0.59099
O15     -0.08949   0.76011   0.59235
O16      0.00432   0.78401   0.90020
O17      0.33729  -0.00286   0.39300
O18      0.23269   0.22808   0.38874
O19      0.23802   0.08766   0.20533
O20      0.42046   0.14532   0.38632
O21     -0.33337   0.00177   0.40008
O22     -0.22900  -0.22926   0.40344
O23     -0.23626  -0.08959   0.21276
O24     -0.41746  -0.14742   0.39376
O25     -0.23344   0.23578   0.39303
O26      0.00174   0.33349   0.38394
O27     -0.08243   0.20591   0.24654
O28     -0.14470   0.41891   0.40929
O29      0.23191  -0.23344   0.40301
O30      0.00045  -0.33709   0.40383
O31      0.08780  -0.23162   0.22471
O32      0.14871  -0.42035   0.40520
O33      0.23043  -0.09264   0.21828
O34      0.41997  -0.14978   0.39692
O35     -0.22615   0.08967   0.21970
O36     -0.41811   0.14637   0.38944
O37     -0.09176  -0.24051   0.21468
O38     -0.14571  -0.42057   0.40930
O39      0.09259   0.23229   0.20155
O40      0.14989   0.41590   0.40310
O41     -0.09335  -0.09409   0.04299
O42     -0.08510   0.08190   0.03743
O43      0.08307  -0.08765   0.05298
O44      0.09146   0.08733   0.03544
O45      0.00315   0.49800   0.40650
O46      0.50066  -0.00188   0.39025
#
#_symmetry_space_group_name_H-M  P 4 M M
#_symmetry_Int_Tables_number   99
#
#   Starting Wyckoff positions:
#
#    1     4e     0.1777   0.0000   0.7094
#    2     8g     0.2740   0.1028   0.3817
#    3     4e    -0.1714   0.0000   0.1017
#    4     4f     0.0995   0.5000   0.3506
#
#   Coordination Sequence :
#
# PCOD1530942 V8B2O23         R =  0.0116   99
#   3
#   8  8  4
#    5  12  19  26  42  70  97 121 149 177
#    5  11  19  33  48  65  93 121 145 182
#    3   8  18  30  44  65  88 117 150 176
#
#_framework_density   11.41
#
