data_PCOD1532908
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB7O13         PCOD1532908 R =  0.0125
Probable space group: P M A 2
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_chemical_formula_sum  "V B7 O13"
_cell_formula_units_Z    2
_cell_length_a         14.0032
_cell_length_b          9.3971
_cell_length_c         16.5807
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2181.84
_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      0.25231   0.51224   0.13785
V2      0.75425   0.50245   0.13960
B3      0.25203   0.48396  -0.05413
B4     -0.25132  -0.45731  -0.05102
B5      0.09588   0.71639   0.07622
B6     -0.08790  -0.69610   0.07015
B7      0.59453  -0.70301   0.08067
B8      0.41183   0.71636   0.08063
B9      0.05206   0.38230   0.15212
B10     -0.04538  -0.37361   0.15366
B11      0.55268  -0.37749   0.16037
B12      0.45256   0.38230   0.15851
B13      0.41942   0.58804  -0.06229
B14     -0.41673  -0.57150  -0.06102
B15      0.91856  -0.55298  -0.06862
B16      0.08766   0.59328  -0.06836
O1      0.25261   0.48495   0.02880
O2      0.16336   0.65421   0.12533
O3      0.34082   0.65517   0.12629
O4      0.14967   0.39087   0.14479
O5      0.35546   0.39211   0.14665
O6      0.66546   0.36075   0.12558
O7      0.65064   0.61908   0.15589
O8      0.74935   0.54350   0.03195
O9      0.84298   0.36326   0.11900
O10      0.85638   0.62404   0.15035
O11      0.33532   0.52976  -0.09008
O12      0.16728   0.51770  -0.09174
O13     -0.33406  -0.50598  -0.08652
O14     -0.16581  -0.48623  -0.08853
O15      0.10073   0.68618  -0.00514
O16      0.00491   0.72352   0.10824
O17     -0.08744  -0.65596  -0.00978
O18      0.00107  -0.71198   0.10490
O19      0.59227  -0.67066  -0.00041
O20      0.50607  -0.71649   0.11690
O21      0.41171   0.68593  -0.00068
O22      0.50127   0.72020   0.11595
O23      0.00265   0.50328   0.17367
O24      0.50234  -0.49786   0.18179
O25      0.50001   0.50526  -0.06613
O26      1.00112  -0.47473  -0.07443
#
#_symmetry_space_group_name_H-M  P M A 2
#_symmetry_Int_Tables_number   28
#
#   Starting Wyckoff positions:
#
#    1     2c     0.2500   0.5064   0.1461
#    2     2c     0.2500   0.4512  -0.0553
#    3     4d     0.1040   0.7795   0.0753
#    4     4d     0.0516   0.3780   0.1368
#    5     4d     0.4332   0.5999  -0.0807
#
#   Coordination Sequence :
#
# PCOD1532908 VB7O13          R =  0.0125   28
#   4
#   2  2  8  4
#    5   6   4   6   6   4   6   6   4   0
#    3   6   6   4   6   6   4   6   6   0
#    3   6   7   5   5   6   5   5   6   0
#    3   5   6   6   5   5   6   5   5   0
#
#_framework_density    7.33
#
