data_PCOD1530069
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB3O7          PCOD1530069 R =  0.0145
Probable space group: P M C 21
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_chemical_formula_sum  "V B3 O7"
_cell_formula_units_Z    4
_cell_length_a         17.5747
_cell_length_b         12.9057
_cell_length_c          9.2049
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2087.80
_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
B1      0.50646   0.77434   0.46833
B2      0.50477   0.22643   0.96725
B3      0.49714   0.74050   0.17330
B4      0.50343  -0.75259   0.67006
B5      0.60803   0.65066   0.56194
B6     -0.60019  -0.66009   1.07390
B7      0.60331  -0.65650   1.07361
B8     -0.59668   0.66052   0.57271
V9     -0.60198  -0.51104   0.81940
V10      0.60205   0.50650   1.31912
V11     -0.60043   0.51061   1.32202
V12      0.59454  -0.51426   0.79407
B13     -0.62486  -0.35116   1.07237
B14      0.62813   0.33962   1.56521
B15     -0.61016   0.34687   1.56324
B16      0.61497  -0.36194   1.05445
O1      0.50024   0.75895   0.32070
O2      0.57516   0.74486   0.52891
O3      0.44692   0.74924   0.56030
O4      0.50508   0.24170   0.81944
O5      0.57091   0.24857   1.04266
O6      0.44260   0.25139   1.05248
O7      0.55982   0.70806   0.09651
O8      0.42623   0.72409   0.11379
O9      0.56631  -0.72407   0.59077
O10      0.43373  -0.73671   0.60483
O11      0.57148   0.58434   0.65685
O12      0.64276   0.60224   0.44535
O13     -0.62125  -0.62241   0.93936
O14     -0.58572  -0.59015   1.18310
O15      0.61409  -0.59778   0.95055
O16      0.58018  -0.59960   1.19220
O17     -0.58406   0.58639   0.67701
O18     -0.61657   0.62592   0.43617
O19     -0.61188  -0.39946   0.94131
O20     -0.50466  -0.55756   0.79222
O21     -0.63929  -0.59496   0.67581
O22      0.62906   0.40420   1.44624
O23      0.50086   0.54128   1.31351
O24      0.64309   0.57799   1.16616
O25     -0.58028   0.40851   1.45505
O26     -0.65088   0.58337   1.18019
O27      0.61111  -0.40529   0.91820
O28      0.65057  -0.60982   0.69034
#
#_symmetry_space_group_name_H-M  P M C 21
#_symmetry_Int_Tables_number   26
#
#   Starting Wyckoff positions:
#
#    1     2b     0.5000   0.7873   0.4675
#    2     2b     0.5000   0.7678   0.1438
#    3     4c     0.6143   0.6707   0.5937
#    4     4c    -0.6075  -0.5097   0.8175
#    5     4c    -0.6193  -0.3667   1.0569
#
#   Coordination Sequence :
#
# PCOD1530069 VB3O7           R =  0.0145   26
#   3
#   4  8  4
#    3   6  10  10   9   8   8   8   8   0
#    3   9  11   8   8   8   8   8   8   0
#    5  10   8   8   8   8   8   8   8   0
#
#_framework_density    7.66
#
