data_PCOD1534230
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B4O11        PCOD1534230 R =  0.0138
Probable space group: P -4 M 2
;
_chemical_formula_sum  "V2 B4 O11"
_cell_formula_units_Z    3
_cell_length_a         15.3441
_cell_length_b         15.3441
_cell_length_c         12.4888
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2940.37
_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     -0.00391  -0.00645   0.35187
V2     -0.00045   0.00543   0.64316
B3      0.12715  -0.12270   0.23786
B4     -0.13016   0.11491   0.24776
B5     -0.11908  -0.12832  -0.23926
B6      0.12414   0.12814  -0.24336
B7      0.12109   0.12283   0.22737
B8     -0.12803  -0.12362   0.23079
B9     -0.12070   0.12536  -0.22770
B10      0.12095  -0.12493  -0.24003
V11     -0.15107  -0.00377  -0.05692
V12      0.15068   0.00204  -0.06040
V13     -0.00854   0.14470   0.05724
V14      0.00555  -0.15280   0.05587
B15     -0.23218   0.00115   0.15641
B16      0.22571   0.00608   0.16033
B17      0.00459   0.22352  -0.14907
B18      0.00200  -0.22894  -0.16379
O1     -0.01134   0.00630   0.49721
O2      0.08418  -0.08370   0.32240
O3     -0.09565   0.06924   0.33330
O4      0.06442   0.08010   0.29497
O5     -0.07965  -0.09420   0.31624
O6     -0.08680  -0.06978   0.68701
O7      0.09009   0.08012   0.67340
O8     -0.07423   0.09320   0.68669
O9      0.07659  -0.08138   0.68019
O10      0.07646  -0.17431   0.17214
O11      0.19330  -0.07305   0.19458
O12     -0.07149   0.15681   0.18188
O13     -0.20262   0.07814   0.20046
O14     -0.15977  -0.09666  -0.14858
O15     -0.06982  -0.20225  -0.22202
O16      0.16909   0.08649  -0.16245
O17      0.07321   0.19813  -0.21306
O18      0.08872   0.16525   0.13826
O19      0.19954   0.08012   0.21418
O20     -0.08468  -0.16894   0.15153
O21     -0.19871  -0.07379   0.20200
O22     -0.17159   0.06541  -0.17469
O23     -0.07657   0.18917  -0.17194
O24      0.16944  -0.07658  -0.16885
O25      0.08127  -0.19919  -0.20110
O26     -0.10777   0.09748   0.00075
O27     -0.05996  -0.05952   0.00902
O28     -0.23606  -0.00101   0.04595
O29      0.05497   0.06572  -0.02002
O30      0.10043  -0.08864   0.01234
O31      0.22803   0.01446   0.05008
O32      0.02340   0.22765  -0.04088
O33     -0.00756  -0.23251  -0.05401
#
#_symmetry_space_group_name_H-M  P -4 M 2
#_symmetry_Int_Tables_number  115
#
#   Starting Wyckoff positions:
#
#    1     2e     0.0000   0.0000   0.3620
#    2     8l     0.1268  -0.1199   0.2241
#    3     4j    -0.1632   0.0000  -0.0482
#    4     4j    -0.2484   0.0000   0.1503
#
#   Coordination Sequence :
#
# PCOD1534230 V2B4O11         R =  0.0138  115
#   4
#   2  8  4  4
#    5   8   8   8   5   2   5   8   8   0
#    3   7  10   6   5   8   5   5   8   0
#    5   8   5   5   8   8   8   5   2   0
#    3   5   7   8   8   8   8   5   2   0
#
#_framework_density    6.12
#
