data_PCOD1532851
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB11O19        PCOD1532851 R =  0.0131
Probable space group: P M M 2
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_chemical_formula_sum  "V B11 O19"
_cell_formula_units_Z    1
_cell_length_a          6.8004
_cell_length_b         12.8714
_cell_length_c         17.1025
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1497.00
_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      0.49850   0.69496   0.83091
B2      0.49035   0.30206   0.82722
B3      0.52727   0.49767   0.80888
V4      0.50166   0.50330   0.62179
B5      0.17412   0.73983   0.74728
B6     -0.20044  -0.74435   0.73563
B7      0.17051  -0.71157   0.74236
B8     -0.19043   0.71766   0.74566
B9      0.18712   0.68688   0.60534
B10     -0.19221  -0.67713   0.59445
B11      0.19459  -0.67421   0.59715
B12     -0.19799   0.68705   0.59996
O1      0.49835   0.59000   0.84725
O2      0.32843   0.73522   0.79907
O3      0.67093   0.73616   0.80203
O4      0.51687   0.40472   0.84815
O5      0.30485   0.27596   0.80135
O6      0.64389   0.25704   0.78681
O7      0.52066   0.49759   0.72882
O8      0.30963   0.60177   0.60533
O9      0.67780   0.60332   0.59092
O10      0.31805   0.40942   0.58664
O11      0.68958   0.40939   0.58923
O12     -0.00177   0.69582   0.76854
O13      0.21176   0.75210   0.66875
O14     -0.02535  -0.70236   0.76115
O15     -0.23311  -0.74236   0.65632
O16      0.22382  -0.72808   0.66590
O17     -0.22625   0.74145   0.66856
O18     -0.00310   0.67408   0.57949
O19      0.00182  -0.66853   0.57202
#
#_symmetry_space_group_name_H-M  P M M 2
#_symmetry_Int_Tables_number   25
#
#   Starting Wyckoff positions:
#
#    1     2h     0.5000   0.7189   0.8310
#    2     1d     0.5000   0.5000   0.8306
#    3     1d     0.5000   0.5000   0.6273
#    4     4i     0.1878   0.6972   0.7434
#    5     4i     0.2231   0.7144   0.5793
#
#   Coordination Sequence :
#
# PCOD1532851 VB11O19         R =  0.0131   25
#   5
#   2  1  1  4  4
#    3   6   8  10   8   8   8   8   8   0
#    3   8   8   6  10   8   6  10   8   0
#    5  10   6  10   8   6  10   8   6   0
#    3   5   8  10   9   8   8   8   8   0
#    3   7  11   9   8   9   7   8   9   0
#
#_framework_density    8.02
#
