data_PCOD1534139
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB3O7          PCOD1534139 R =  0.0077
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         19.4087
_cell_length_b         19.4087
_cell_length_c          6.5432
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2464.83
_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      0.09404   0.18976   0.89254
B2      0.89650   0.80380   0.90482
B3      0.80269   0.09959   0.90357
B4      0.18810   0.90198   0.90748
B5      0.09506   0.80671   0.90679
B6      0.89656   0.19762   0.91634
B7      0.80378   0.89977   0.90052
B8      0.18879   0.09638   0.90314
V9      0.12343   0.00008   1.23146
V10     -0.13001   0.00134   1.19850
V11     -0.00488   0.12887   1.22514
V12     -0.00603  -0.12609   1.22157
B13     -0.20859  -0.00016   1.62398
B14      0.21122  -0.00140   1.62603
B15     -0.00328  -0.21008   1.63514
B16     -0.00847   0.21423   1.63428
O1      0.15629   0.15770   0.85676
O2      0.06079   0.17208   1.07096
O3      0.05492   0.20898   0.72673
O4      0.83624   0.83810   0.85937
O5      0.92801   0.82537   1.08198
O6      0.93747   0.78061   0.74803
O7      0.83823   0.16017   0.87216
O8      0.81320   0.06637   1.08690
O9      0.78837   0.06024   0.73395
O10      0.15793   0.83839   0.87931
O11      0.17138   0.93555   1.08588
O12      0.20494   0.93832   0.73440
O13      0.05867   0.82500   1.07889
O14      0.05850   0.78530   0.73830
O15      0.93026   0.18160   1.09481
O16      0.93543   0.22409   0.75954
O17      0.81826   0.93326   1.08109
O18      0.78673   0.93945   0.73332
O19      0.17012   0.06556   1.08419
O20      0.21244   0.05804   0.74091
O21      0.05949   0.06515   1.30262
O22      0.06143  -0.06667   1.30380
O23      0.19123   0.00137   1.42489
O24     -0.07393   0.06922   1.29782
O25     -0.07153  -0.06373   1.30073
O26     -0.18104  -0.00058   1.43136
O27     -0.02027   0.17946   1.45571
O28     -0.00728  -0.16379   1.47711
#
#_symmetry_space_group_name_H-M  P 4 M M
#_symmetry_Int_Tables_number   99
#
#   Starting Wyckoff positions:
#
#    1     8g     0.0974   0.2015   0.8845
#    2     4e     0.1283   0.0000   1.2434
#    3     4e    -0.2109   0.0000   1.6058
#
#   Coordination Sequence :
#
# PCOD1534139 VB3O7           R =  0.0077   99
#   3
#   8  4  4
#    3   6  12  15  11  10  12  10  10   0
#    5  10  11  10  11  11  10  11  11   0
#    3   7  11  13  13  11  10  11  11   0
#
#_framework_density    6.49
#
