data_PCOD1534494
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B4O11        PCOD1534494 R =  0.0128
Probable space group: P 42/M C M
;
_chemical_formula_sum  "V2 B4 O11"
_cell_formula_units_Z    4
_cell_length_a         13.8281
_cell_length_b         13.8281
_cell_length_c         19.3128
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3692.92
_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      0.09055   0.08483   0.19352
V2      0.90893   0.90877   0.18676
V3      0.90459   0.09050   0.68781
V4      0.07830   0.90746   0.69127
V5      0.91334   0.08694   0.31034
V6      0.08857   0.90135   0.31222
V7      0.08288   0.09107   0.81564
V8      0.90221   0.91626   0.81921
B9     -0.16098  -0.02325   0.43349
B10      0.15993   0.02010   0.43147
B11      0.02898  -0.16170   0.93251
B12     -0.02763   0.16490   0.93864
B13      0.16762  -0.02028   0.06818
B14     -0.16815   0.03122   0.07436
B15     -0.03764  -0.17033  -0.42967
B16      0.02075   0.15676  -0.43431
B17      0.15147   0.01202  -0.43311
B18     -0.16834  -0.02750  -0.43232
B19     -0.02048   0.16048   0.07304
B20      0.03377  -0.16142   0.06793
B21     -0.17127   0.03359   0.93994
B22      0.16437  -0.02076   0.93308
B23      0.03165   0.16519   0.43054
B24     -0.02712  -0.16392   0.43619
O1      0.17052   0.04232   0.12369
O2      0.04378   0.16937   0.12726
O3      0.00554   0.14305   0.25410
O4      0.13866  -0.01695   0.24557
O5     -0.00525   0.00424   0.16312
O6      1.00435   0.86280   0.24319
O7      0.86365   0.99039   0.25429
O8      0.82334   0.96205   0.12538
O9      0.96055   0.83688   0.11611
O10      0.98952   0.13229   0.75542
O11      0.86188   0.00494   0.75443
O12      0.94422   0.16047   0.61115
O13      0.82228   0.03053   0.62565
O14      0.99354   0.00001   0.66131
O15     -0.01163   0.86914   0.75535
O16      0.12212   0.99942   0.75257
O17      0.02334   0.82698   0.62685
O18      0.16009   0.95096   0.62300
O19      0.83284   0.03979   0.37845
O20      0.96251   0.16520   0.37917
O21      1.00290  -0.00342   0.33621
O22      0.17070   0.95950   0.37512
O23      0.04548   0.83140   0.38774
O24      0.03444   0.17145   0.88291
O25      0.16932   0.04457   0.87937
O26     -0.00476   0.00228   0.84694
O27      0.95430   0.83581   0.88518
O28      0.82337   0.96980   0.88519
O29     -0.10496  -0.10452   0.42390
O30     -0.17497   0.00671   0.50087
O31      0.11016   0.10522   0.42120
O32      0.16736  -0.01288   0.49872
O33      0.10545  -0.09987   0.92196
O34      0.01054  -0.18459   1.00058
O35     -0.11144   0.11209   0.93051
O36      0.00670   0.17520   1.00527
O37      0.11201  -0.10198   0.07859
O38      0.17655   0.00982   0.00053
O39     -0.10102   0.10365   0.08379
O40     -0.18725   0.00428   0.00698
O41     -0.11903  -0.11333  -0.42353
O42     -0.00291  -0.18317  -0.49584
O43      0.09520   0.09313  -0.42208
O44      0.00444   0.18334  -0.50206
#
#_symmetry_space_group_name_H-M  P 42/M C M
#_symmetry_Int_Tables_number  132
#
#   Starting Wyckoff positions:
#
#    1     8o     0.1005   0.1005   0.1842
#    2    16p    -0.1639  -0.0218   0.4385
#
#   Coordination Sequence :
#
# PCOD1534494 V2B4O11         R =  0.0128  132
#   2
#   8 16
#    5   8   7   5   6   8   6   4   6   0
#    3   6   9   9   6   4   6   8   6   0
#
#_framework_density    6.50
#
