data_PCOD1532852
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB15O25        PCOD1532852 R =  0.0104
Probable space group: P M M 2
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_chemical_formula_sum  "V B15 O25"
_cell_formula_units_Z    1
_cell_length_a         11.0670
_cell_length_b         14.4519
_cell_length_c         17.6582
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2824.23
_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      0.72852   0.00087   0.54246
B2      0.26961   0.00510   0.54451
B3      0.49954  -0.00731   0.49498
V4      0.49648  -0.00180   0.31483
B5      0.11168  -0.13279   0.51432
B6     -0.11562   0.14131   0.51039
B7      0.12206   0.14377   0.50475
B8     -0.12318  -0.14024   0.51245
B9      0.11744   0.20831   0.36471
B10     -0.11822  -0.21044   0.37354
B11      0.11481  -0.20661   0.37569
B12     -0.11991   0.20959   0.37289
B13     -0.26213   0.08456   0.30867
B14      0.25462  -0.08607   0.30127
B15     -0.26116  -0.08875   0.30350
B16      0.25818   0.08790   0.29399
O1      0.60583   0.00784   0.53288
O2      0.79857   0.07878   0.53406
O3      0.78318  -0.08397   0.53481
O4      0.39208  -0.00128   0.53320
O5      0.20091  -0.07406   0.53921
O6      0.21291   0.08834   0.53227
O7      0.50073  -0.01565   0.41767
O8      0.37836  -0.08995   0.30879
O9      0.38262   0.08830   0.29968
O10      0.61468   0.08647   0.32002
O11      0.61432  -0.09021   0.30585
O12     -0.00724  -0.11589   0.53251
O13      0.13241  -0.18617   0.45114
O14      0.00459   0.12423   0.52473
O15     -0.13995   0.19721   0.44921
O16      0.14298   0.19481   0.44029
O17     -0.13820  -0.19522   0.44962
O18     -0.00294   0.22215   0.34814
O19      0.19126   0.16424   0.31346
O20     -0.00073  -0.22767   0.35244
O21     -0.19380  -0.16430   0.32446
O22      0.18620  -0.15974   0.32471
O23     -0.19514   0.16187   0.32465
O24     -0.20962  -0.00187   0.30683
O25      0.20548   0.00148   0.29752
#
#_symmetry_space_group_name_H-M  P M M 2
#_symmetry_Int_Tables_number   25
#
#   Starting Wyckoff positions:
#
#    1     2e     0.7267   0.0000   0.5351
#    2     1c     0.5000   0.0000   0.4956
#    3     1c     0.5000   0.0000   0.3261
#    4     4i     0.1127  -0.1232   0.5098
#    5     4i     0.1251   0.2193   0.3582
#    6     4i    -0.2491   0.0877   0.3052
#
#   Coordination Sequence :
#
# PCOD1532852 VB15O25         R =  0.0104   25
#   6
#   2  1  1  4  4  4
#    3   6   9   7   5   7   6   7   7   0
#    3   8   8   6   6   4   8   8   6   0
#    5   6   8   8   4   6   6   8   8   0
#    3   5   7   8   8   7   6   5   6   0
#    3   5   8   8   7   8   6   5   6   0
#    3   6   8   8   7   5   7   7   6   0
#
#_framework_density    5.67
#
