data_PCOD1534197
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB3O7          PCOD1534197 R =  0.0133
Probable space group: P -4 2 M
;
_chemical_formula_sum  "V B3 O7"
_cell_formula_units_Z    4
_cell_length_a         10.2190
_cell_length_b         10.2190
_cell_length_c         17.0587
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1781.40
_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      0.61888   0.62013   0.92816
V2      0.37810   0.37735   0.92980
V3      0.62216   0.37856   0.07079
V4      0.37930   0.62025   0.07126
B5      0.28621   0.52767   0.79239
B6     -0.28679  -0.53493   0.79327
B7      0.52729  -0.28759  -0.78917
B8     -0.53297   0.28454  -0.79265
B9     -0.28517   0.52964  -0.78905
B10      0.28380  -0.53639  -0.79258
B11     -0.53488  -0.28557   0.79078
B12      0.53546   0.28233   0.79411
B13     -0.41600  -0.41038   0.68224
B14      0.41932   0.40967   0.68259
B15     -0.41379   0.41220  -0.68173
B16      0.40612  -0.41519  -0.68204
O1      0.49825   0.49830   0.89679
O2      0.67895   0.50094   1.00007
O3      0.49830   0.67924   0.99923
O4      0.73064   0.55030   0.85544
O5      0.55012   0.72843   0.85318
O6      0.26734   0.44707   0.85638
O7      0.44679   0.26836   0.85471
O8      0.50140   0.31933   0.99979
O9      0.32017   0.49829   1.00109
O10      0.50047   0.49895   0.10261
O11      0.55142   0.26907   0.14477
O12      0.72897   0.45001   0.14603
O13      0.45025   0.72939   0.14524
O14      0.27059   0.55044   0.14594
O15      0.31523   0.46275   0.72353
O16      0.35267   0.64309   0.80462
O17     -0.31788  -0.47277   0.72378
O18     -0.35005  -0.65093   0.80962
O19      0.45873  -0.30838  -0.72045
O20      0.64145  -0.35812  -0.79849
O21     -0.47296   0.31033  -0.72169
O22     -0.64907   0.34886  -0.80679
O23     -0.30572   0.46430  -0.71915
O24      0.30529  -0.47827  -0.72067
O25     -0.47497  -0.30563   0.71926
O26      0.48239   0.30887   0.72129
O27     -0.50106  -0.49829   0.64721
O28     -0.50042   0.50219  -0.65060
#
#_symmetry_space_group_name_H-M  P -4 2 M
#_symmetry_Int_Tables_number  111
#
#   Starting Wyckoff positions:
#
#    1     4n     0.6281   0.6281   0.9299
#    2     8o     0.2585   0.5508   0.7759
#    3     4n    -0.4083  -0.4083   0.6899
#
#   Coordination Sequence :
#
# PCOD1534197 VB3O7           R =  0.0133  111
#   3
#   4  8  4
#    5   7   3   0   0   0   0   0   0   0
#    3   5   5   2   0   0   0   0   0   0
#    3   3   3   4   2   0   0   0   0   0
#
#_framework_density    8.98
#
