data_PCOD1533251
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB5O10         PCOD1533251 R =  0.0136
Probable space group: P N N N
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_chemical_formula_sum  "V B5 O10"
_cell_formula_units_Z    4
_cell_length_a         12.0350
_cell_length_b         18.0181
_cell_length_c         17.5781
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3811.80
_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      0.86186   0.25524   0.25343
B2      0.63342   0.24924   0.24870
B3      0.13798   0.75835   0.74582
B4      0.36530   0.75891   0.75151
B5      0.47364   0.17880   0.31930
B6      0.02639   0.31341   0.32331
B7      0.03136   0.19733   0.17879
B8      0.46857   0.31318   0.17456
B9     -0.47644  -0.18494  -0.32735
B10      0.97281   0.69805  -0.32768
B11      0.97053  -0.18532   0.82144
B12     -0.46551   0.69585   0.82233
V13      0.25526   0.15231   0.24349
V14      0.24807   0.35463   0.25103
V15     -0.25183  -0.14470  -0.25150
V16     -0.24565   0.65281  -0.25697
B17     -0.16750  -0.20548  -0.39242
B18      0.65019   0.71773  -0.39464
B19      0.66358  -0.21123   0.89473
B20     -0.15656   0.71440   0.88914
B21      0.16111   0.21237   0.38585
B22      0.34654   0.28063   0.38769
B23      0.34110   0.21919   0.10241
B24      0.15852   0.29597   0.10882
O1      0.74761   0.25262   0.25007
O2      0.91858   0.30619   0.29752
O3      0.93050   0.20700   0.21454
O4      0.57426   0.19423   0.28523
O5      0.56784   0.30062   0.21165
O6      0.25139   0.75448   0.75242
O7      0.07393   0.80571   0.78915
O8      0.07809   0.71002   0.70094
O9      0.43318   0.70898   0.78855
O10      0.41994   0.80893   0.70558
O11      0.39440   0.13577   0.28349
O12      0.43043   0.23238   0.36715
O13      0.10265   0.35497   0.28326
O14      0.07175   0.25481   0.36324
O15      0.11371   0.15033   0.20451
O16      0.06923   0.25446   0.13339
O17      0.38548   0.35591   0.20568
O18      0.43293   0.26034   0.12328
O19     -0.39297  -0.14782  -0.28975
O20     -0.44224  -0.24138  -0.37472
O21      0.90054   0.65237  -0.28879
O22      0.92340   0.75311  -0.37021
O23      0.88985  -0.14365   0.78600
O24      0.93138  -0.24165   0.86722
O25     -0.38343   0.65504   0.78754
O26     -0.42809   0.74715   0.87467
O27      0.24366   0.25358   0.24276
O28      0.19465   0.15469   0.33922
O29      0.31577   0.15906   0.14816
O30      0.32614   0.34012   0.34015
O31      0.18908   0.35548   0.15412
O32     -0.19437  -0.14442  -0.34818
O33     -0.24426  -0.24575  -0.25676
O34     -0.30807  -0.15492  -0.15501
O35     -0.32281   0.65890  -0.34768
O36     -0.18822   0.65820  -0.15978
O37     -0.25886  -0.24283  -0.42052
O38      0.75432  -0.24971   0.92263
O39      0.25066   0.24954   0.41730
O40      0.24837   0.25832   0.07885
#
#_symmetry_space_group_name_H-M  P N N N
#_symmetry_Int_Tables_number   48
#
#   Starting Wyckoff positions:
#
#    1     4g     0.8703   0.2500   0.2500
#    2     8m     0.4980   0.1818   0.3392
#    3     4i     0.2500   0.1391   0.2500
#    4     8m    -0.1321  -0.2280  -0.4053
#
#   Coordination Sequence :
#
# PCOD1533251 VB5O10          R =  0.0136   48
#   4
#   4  8  4  8
#    3   6   8   5   2   3   6   8   5   0
#    3   6   5   5   6   5   5   3   5   0
#    5   6   2   4   8   8   2   2   4   0
#    3   5   4   3   6   8   5   2   3   0
#
#_framework_density    6.30
#
