data_PCOD1532854
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB11O19        PCOD1532854 R =  0.0124
Probable space group: P M M 2
;
_chemical_formula_sum  "V B11 O19"
_cell_formula_units_Z    1
_cell_length_a         15.3435
_cell_length_b          7.0164
_cell_length_c         14.3882
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1548.98
_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      0.66329   0.48915   0.24492
B2      0.33441   0.50069   0.24572
B3      0.49772   0.47274   0.30258
B4      0.28386   0.18191   0.33080
B5     -0.29141  -0.19033   0.33363
B6      0.28809  -0.18981   0.33615
B7     -0.27792   0.18002   0.32456
V8      0.50159   0.49108   0.52089
B9     -0.32501  -0.33314   0.50262
B10      0.32701   0.31298   0.49869
B11     -0.32528   0.31058   0.49294
B12      0.32887  -0.33184   0.50520
O1      0.57442   0.46903   0.25343
O2      0.71054   0.32579   0.26194
O3      0.69817   0.66047   0.27289
O4      0.42388   0.50900   0.25168
O5      0.29756   0.32766   0.26877
O6      0.29058   0.66195   0.27376
O7      0.49963   0.52155   0.39472
O8      0.28814  -0.00561   0.30337
O9      0.29270   0.21542   0.42436
O10     -0.28412  -0.00845   0.29905
O11     -0.30106  -0.22338   0.42727
O12      0.30424  -0.22695   0.42841
O13     -0.29260   0.21433   0.41741
O14      0.41660   0.30910   0.50990
O15      0.58570   0.30746   0.50712
O16      0.41636   0.67317   0.52918
O17      0.58781   0.67133   0.52705
O18     -0.28795  -0.51259   0.50821
O19      0.29080   0.49039   0.51482
#
#_symmetry_space_group_name_H-M  P M M 2
#_symmetry_Int_Tables_number   25
#
#   Starting Wyckoff positions:
#
#    1     2f     0.6476   0.5000   0.2395
#    2     1d     0.5000   0.5000   0.3155
#    3     4i     0.2750   0.1703   0.3269
#    4     1d     0.5000   0.5000   0.5249
#    5     4i    -0.2998  -0.3225   0.5102
#
#   Coordination Sequence :
#
# PCOD1532854 VB11O19         R =  0.0124   25
#   5
#   2  1  4  1  4
#    3   6   8  10   8   6  10   8   6   0
#    3   8   4   8  12   4   8  12   4   0
#    3   6   8   8   9   9   7   8   9   0
#    5   6   4   8  12   4   8  12   4   0
#    3   6   6   8  10   6   8  10   6   0
#
#_framework_density    7.75
#
