data_PCOD1530722
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V7B3O22        PCOD1530722 R =  0.0136
Probable space group: P -6 C 2
;
_chemical_formula_sum  "V7 B3 O22"
_cell_formula_units_Z    2
_cell_length_a         18.3600
_cell_length_b         18.3600
_cell_length_c          7.0932
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          2070.70
_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      0.00103  -0.00319   0.25302
V2     -0.00330   0.00613   0.75459
B3     -0.18147  -0.02278   0.24693
B4      0.02562  -0.16346   0.25855
B5      0.15339   0.18735   0.25326
B6      0.02330   0.19157  -0.25920
B7      0.15201  -0.02613  -0.24734
B8     -0.19061  -0.15283  -0.24043
V9      0.16102  -0.15235   0.00609
V10      0.15700   0.31771  -0.00525
V11     -0.31654  -0.14927   0.00785
V12      0.16275  -0.15222   0.50383
V13      0.15662   0.32176   0.49395
V14     -0.31261  -0.14775   0.50178
V15      0.26991  -0.26989   0.00034
V16      0.27329   0.54170  -0.00073
V17     -0.53634  -0.26681  -0.00372
V18      0.27190  -0.26753   0.50101
V19      0.27318   0.54272   0.49889
V20     -0.53623  -0.26718   0.49538
O1     -0.01750  -0.00427   0.50223
O2     -0.10444  -0.01695   0.22070
O3      0.00751  -0.09941   0.27042
O4      0.08663   0.10630   0.26403
O5      0.01327  -0.00459   0.00193
O6     -0.00011   0.10763   0.73820
O7      0.08816  -0.00884   0.72396
O8     -0.11011  -0.08510   0.77294
O9     -0.23197  -0.04574   0.08822
O10     -0.22401  -0.04728   0.41704
O11      0.05607  -0.17931   0.09500
O12      0.05760  -0.17792   0.42160
O13      0.17033   0.23096   0.08486
O14      0.17624   0.23793   0.41146
O15      0.05323   0.23606  -0.09278
O16      0.05365   0.23760  -0.42336
O17      0.16690  -0.05450  -0.07931
O18      0.17693  -0.05158  -0.40589
O19     -0.23607  -0.17351  -0.07342
O20     -0.23279  -0.17201  -0.41172
O21      0.19541  -0.12680   0.25415
O22      0.19888  -0.22773   0.03006
O23      0.14449  -0.18350  -0.24508
O24      0.13594   0.33233   0.24222
O25      0.23791   0.42955   0.01374
O26      0.18825   0.33296  -0.25489
O27     -0.31275  -0.18115   0.25475
O28     -0.42503  -0.23645  -0.01079
O29     -0.32575  -0.12975  -0.24597
O30      0.19635  -0.23069   0.47562
O31      0.18796   0.43350   0.51432
O32     -0.42367  -0.23005   0.51036
O33      0.26666  -0.29021   0.25114
O34      0.38178  -0.23770  -0.00995
O35      0.24460  -0.37781  -0.04886
O36      0.27566  -0.24568  -0.24894
O37      0.24870   0.54285   0.24857
O38      0.29720   0.54157  -0.25128
O39      0.38161   0.62465   0.04442
O40     -0.52400  -0.24184   0.24603
O41     -0.54793  -0.29034  -0.25388
O42      0.38326  -0.23647   0.50743
O43      0.24586  -0.37600   0.54849
O44      0.38147   0.62441   0.44975
#
#_symmetry_space_group_name_H-M  P -6 C 2
#_symmetry_Int_Tables_number  188
#
#   Starting Wyckoff positions:
#
#    1     2b     0.0000   0.0000   0.2500
#    2     6k    -0.1903  -0.0245   0.2500
#    3     6j     0.1564  -0.1564   0.0000
#    4     6j     0.2726  -0.2726   0.0000
#
#   Coordination Sequence :
#
# PCOD1530722 V7B3O22         R =  0.0136  188
#   4
#   2  6  6  6
#    5  14  20  32  44  62  74 104   0   0
#    3  10  20  28  42  54  76  96   0   0
#    5  10  18  30  38  56  76  96   0   0
#    5  12  20  28  42  58  76 104   0   0
#
#_framework_density    9.66
#
