data_PCOD1530304
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB3O7          PCOD1530304 R =  0.0148
Probable space group: P C
;
_chemical_formula_sum  "V B3 O7"
_cell_formula_units_Z    2
_cell_length_a         11.9284
_cell_length_b         19.5722
_cell_length_c          4.5911
_cell_angle_alpha     90.000
_cell_angle_beta     106.019
_cell_angle_gamma     90.000
_cell_volume          1030.23
_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      0.30974   0.60599  -0.04263
B2      0.31469   0.39271   0.45722
V3      0.16217   0.56214  -0.68452
V4      0.16572  -0.56364  -0.18268
B5     -0.09223   0.53271  -0.82785
B6     -0.08946  -0.53833  -0.32663
B7      0.47690   0.53201  -0.13751
B8      0.48069  -0.53342   0.36498
O1      0.21690   0.58972  -0.28854
O2      0.41637   0.58840  -0.08253
O3      0.28916   0.60345   0.23757
O4      0.22157   0.40950   0.21364
O5      0.42192   0.40931   0.41865
O6      0.29459   0.39736   0.73841
O7      0.00390   0.57497  -0.77462
O8      0.14014   0.47545  -0.55921
O9      0.13870   0.52230  -1.05877
O10      0.00838  -0.57913  -0.27193
O11     -0.11542   0.50333  -0.57811
O12     -0.11416   0.49047  -1.07761
O13      0.49021   0.48183   0.08089
O14      0.48774   0.51708  -0.42123
#
#_symmetry_space_group_name_H-M  P C
#_symmetry_Int_Tables_number    7
#
#   Starting Wyckoff positions:
#
#    1     2a     0.3454   0.6190   0.0129
#    2     2a     0.1465   0.5656  -0.6193
#    3     2a    -0.1147   0.5427  -0.8528
#    4     2a     0.5099   0.5547  -0.1533
#
#   Coordination Sequence :
#
# PCOD1530304 VB3O7           R =  0.0148    7
#   3
#   2  2  4
#    3   9  11   8   8   8   0   0   0   0
#    5   9   9   8   8   8   0   0   0   0
#    3   6   9   9   8   8   0   0   0   0
#
#_framework_density    7.77
#
