data_PCOD1530946
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V3BO9          PCOD1530946 R =  0.0118
Probable space group: P 1
;
_chemical_formula_sum  "V3 B O9"
_cell_formula_units_Z    1
_cell_length_a          5.0717
_cell_length_b         18.8622
_cell_length_c          7.2844
_cell_angle_alpha     97.218
_cell_angle_beta     107.970
_cell_angle_gamma    117.082
_cell_volume           560.29
_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      0.27252   0.29150   0.30745
V2      0.01634   0.32428   0.67719
B3     -0.26582   0.20452   0.89115
V4      0.75347   0.35486   0.04734
O1      0.06705   0.26895   0.47957
O2      0.58812   0.36226   0.23378
O3      0.60451   0.29030   0.49997
O4      0.08397   0.35323   0.23732
O5     -0.03888   0.20895   0.06420
O6     -0.15363   0.22767   0.74501
O7      0.42081   0.35468   0.85679
O8     -0.03006   0.37688   0.88256
O9     -0.43234   0.24225   0.92710
#
#_symmetry_space_group_name_H-M  P 1
#_symmetry_Int_Tables_number    1
#
#   Starting Wyckoff positions:
#
#    1     1a     0.1783   0.2639   0.2513
#    2     1a    -0.0076   0.3295   0.6781
#    3     1a    -0.2907   0.1759   0.8496
#    4     1a     0.7919   0.3575   0.0788
#
#   Coordination Sequence :
#
# PCOD1530946 V3BO9           R =  0.0118    1
#   3
#   2  1  1
#    5  11  14  22  28  28   0   0   0   0
#    3   7  17  19  21  37   0   0   0   0
#    5   9  19  19  23  39   0   0   0   0
#
#_framework_density    7.14
#
