data_PCOD1534441
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B4O11        PCOD1534441 R =  0.0148
Probable space group: P 4/N M M
;
_chemical_formula_sum  "V2 B4 O11"
_cell_formula_units_Z    4
_cell_length_a         15.1784
_cell_length_b         15.1784
_cell_length_c         16.6100
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3826.67
_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      0.25103   0.63404   0.57315
V2      0.24980   0.86249   0.57519
V3      0.86389   0.25100   0.57479
V4      0.63561   0.24951   0.57541
V5      0.74994   0.13693   0.42332
V6      0.74896   0.36487   0.42357
V7      0.13386   0.74911   0.42434
V8      0.36246   0.75068   0.42090
B9      0.03158   0.91509   0.41853
B10      0.46986  -0.41168   0.41939
B11     -0.40459   0.02344   0.43585
B12      0.91149   0.46974   0.42805
B13     -0.02772   1.40965  -0.42681
B14      0.52984  -0.91298  -0.42238
B15      1.39519   0.50975  -0.44934
B16     -0.89443  -0.01041  -0.44783
B17     -0.02775  -0.90991  -0.42913
B18      0.52938   1.41246  -0.42644
B19      1.41206  -0.03207  -0.42408
B20     -0.91293   0.53080  -0.42016
B21      0.01518  -0.40005   0.44278
B22      0.47313   0.90907   0.43057
B23     -0.39653   0.48890   0.44110
B24      0.90239   0.02064   0.43346
O1      0.25114   0.74792   0.61033
O2      0.16804   0.66589   0.49843
O3      0.33172   0.66832   0.49679
O4      0.16664   0.55713   0.61102
O5      0.33253   0.54887   0.59871
O6      0.16575   0.82974   0.50134
O7      0.32991   0.83178   0.49748
O8      0.17286   0.95334   0.59685
O9      0.33779   0.93525   0.61279
O10      0.74995   0.25039   0.61130
O11      0.83197   0.16924   0.49886
O12      0.83107   0.33309   0.49949
O13      0.94665   0.16858   0.60518
O14      0.94037   0.33582   0.61159
O15      0.66839   0.16781   0.49989
O16      0.66735   0.33136   0.49924
O17      0.55638   0.16596   0.61037
O18      0.55520   0.33346   0.60695
O19      0.74902   0.25084   0.38685
O20      0.83313   0.05626   0.39100
O21      0.66691   0.05488   0.39376
O22      0.83425   0.44371   0.39168
O23      0.66770   0.44923   0.39521
O24      0.24748   0.75018   0.38662
O25      0.05854   0.83546   0.38777
O26      0.04733   0.66930   0.39827
O27      0.44399   0.83465   0.39120
O28      0.44294   0.66755   0.38736
O29     -0.04979   0.95121   0.40311
O30      0.07765   0.94842   0.48312
O31      0.55381  -0.44429   0.40867
O32      0.42297  -0.44647   0.48298
O33     -0.45211  -0.04693   0.40682
O34     -0.42771   0.05885   0.50902
O35      0.94779   0.55062   0.41107
O36      0.93484   0.43290   0.50075
O37      0.04491   1.45417  -0.39900
O38      0.45569  -0.95785  -0.39819
O39      1.44386   0.44108  -0.41878
O40     -0.94622   0.05418  -0.41430
O41     -0.07262  -0.94076  -0.49537
O42      0.57680   1.44688  -0.48973
O43      1.43608  -0.06871  -0.49664
O44     -0.94267   0.57330  -0.48828
#
#_symmetry_space_group_name_H-M  P 4/N M M
#_symmetry_Int_Tables_number  129
#
#   Starting Wyckoff positions:
#
#    1     8i     0.2500   0.6273   0.5878
#    2    16k    -0.0053   0.8868   0.4625
#
#   Coordination Sequence :
#
# PCOD1534441 V2B4O11         R =  0.0148  129
#   2
#   8 16
#    5   8   8  12  20  23  20  25  36   0
#    3   6  10  12  14  21  28  27  26   0
#
#_framework_density    6.27
#
