data_PCOD1531374
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB3O7          PCOD1531374 R =  0.0108
Probable space group: P 4 M M
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_chemical_formula_sum  "V B3 O7"
_cell_formula_units_Z    4
_cell_length_a         17.7843
_cell_length_b         17.7843
_cell_length_c          8.9338
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2825.59
_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      0.16722   0.00780   0.07245
B2      0.83352  -0.00484   0.07216
B3     -0.00269   0.16997   0.08045
B4      0.00663   0.82776   0.08640
B5      0.17924   0.00188  -0.23180
B6     -0.17976  -0.00445  -0.23174
B7     -0.00130   0.17683  -0.22409
B8      0.00475  -0.18545  -0.21943
B9      0.12457   0.13365   0.22423
B10     -0.12025  -0.12804   0.22677
B11     -0.12861   0.12010   0.22163
B12      0.13256  -0.11885   0.22141
V13     -0.09109  -0.10172  -0.43941
V14      0.09472   0.09633  -0.44946
V15      0.09729  -0.10206  -0.44056
V16     -0.09519   0.09374  -0.44358
O1      0.16548   0.00829  -0.08114
O2      0.15586   0.07274   0.15261
O3      0.16540  -0.06004   0.14602
O4      0.83589  -0.00518  -0.08121
O5      0.84642  -0.07031   0.14922
O6      0.83616   0.06330   0.14435
O7     -0.00186   0.16455  -0.07269
O8      0.06451   0.16820   0.15610
O9     -0.06798   0.15525   0.15672
O10      0.00542   0.82216  -0.06663
O11     -0.05940   0.83619   0.16420
O12      0.07373   0.84345   0.15549
O13      0.16862   0.06509  -0.31925
O14      0.16446  -0.06573  -0.30178
O15     -0.16469  -0.07002  -0.30948
O16     -0.16683   0.06105  -0.31058
O17      0.06443   0.16110  -0.30050
O18     -0.06712   0.16256  -0.30086
O19     -0.06140  -0.16796  -0.29306
O20      0.06975  -0.17192  -0.29896
O21      0.13041   0.13900   0.37773
O22     -0.13001  -0.13043   0.37959
O23     -0.13494   0.11992   0.37484
O24      0.13763  -0.12175   0.37494
O25      0.00299  -0.11577  -0.52010
O26     -0.08797  -0.00431  -0.50697
O27      0.08576  -0.00374  -0.49805
O28     -0.00098   0.10739  -0.52418
#
#_symmetry_space_group_name_H-M  P 4 M M
#_symmetry_Int_Tables_number   99
#
#   Starting Wyckoff positions:
#
#    1     4e     0.1347   0.0000   0.0791
#    2     4e     0.1704   0.0000  -0.1996
#    3     4d     0.1369   0.1369   0.2198
#    4     4d    -0.1091  -0.1091  -0.4664
#
#   Coordination Sequence :
#
# PCOD1531374 VB3O7           R =  0.0108   99
#   3
#   4  8  4
#    3   6  13  11   9   9   8   8   8   0
#    3   8  10  12   9   9   8   8   8   0
#    5   9  10   9   9   9   8   8   8   0
#
#_framework_density    5.66
#
