data_PCOD1530822
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B4O11        PCOD1530822 R =  0.0134
Probable space group: P 63/M M C
;
_chemical_formula_sum  "V2 B4 O11"
_cell_formula_units_Z    6
_cell_length_a         15.9528
_cell_length_b         15.9528
_cell_length_c         12.7541
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          2810.96
_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      0.61772   0.89745   0.15042
B2      0.10690   0.73280   0.15118
B3      0.27261   0.38530   0.14055
B4      0.38485   0.10653   0.64903
B5      0.89619   0.27575   0.65156
B6      0.72620   0.62030   0.65105
B7      0.89093   0.61596   0.85242
B8      0.72861   0.10729   0.84905
B9      0.38513   0.27760   0.84736
B10      0.11213   0.38583   0.35803
B11      0.27367   0.89336   0.35065
B12      0.62048   0.73148   0.35411
B13      0.38520   0.10944   0.85010
B14      0.89429   0.27003   0.85289
B15      0.73085   0.62467   0.85246
B16      0.62227   0.89838   0.35057
B17      0.10859   0.72738   0.35089
B18      0.27487   0.38240   0.34118
B19      0.11079   0.39132   0.15142
B20      0.27047   0.89715   0.15054
B21      0.61899   0.73216   0.15534
B22      0.89043   0.61805   0.64874
B23      0.73141   0.10868   0.64987
B24      0.38237   0.27225   0.64898
V25      0.40808   0.81664   0.39368
V26     -0.81532  -0.40832   0.38742
V27      0.40811  -0.40682   0.39087
V28     -0.40603  -0.81166   0.89309
V29      0.81388   0.40492   0.89443
V30     -0.40654   0.41050   0.89044
V31      0.81898   0.40957  -0.39107
V32     -0.40416  -0.81408  -0.39138
V33     -0.40558   0.40834  -0.39348
V34     -0.80858  -0.39733   0.10319
V35      0.40685   0.81849   0.10947
V36      0.41043  -0.40250   0.10759
O1      0.65285   0.93098   0.24990
O2      0.62019   0.81515   0.12242
O3      0.53763   0.90331   0.12056
O4      0.07483   0.73048   0.25218
O5      0.18339   0.82006   0.11846
O6      0.10974   0.65169   0.11898
O7      0.27154   0.35061   0.24010
O8      0.18662   0.38114   0.11436
O9      0.35900   0.46584   0.11423
O10      0.35612   0.07378   0.75006
O11      0.37764   0.18642   0.62148
O12      0.46449   0.10315   0.61226
O13      0.92729   0.27311   0.75199
O14      0.81547   0.19095   0.62009
O15      0.90243   0.36194   0.62183
O16      0.73030   0.65503   0.75115
O17      0.81054   0.62378   0.61813
O18      0.64142   0.53920   0.62040
O19      0.81444   0.62717   0.88494
O20      0.92112   0.64625   0.75059
O21      0.89676   0.53681   0.88679
O22      0.81585   0.18305   0.88337
O23      0.73019   0.07416   0.74961
O24      0.64587   0.10870   0.87773
O25      0.38408   0.19332   0.87468
O26      0.34961   0.27638   0.74805
O27      0.46306   0.36484   0.87817
O28      0.19208   0.37753   0.38086
O29      0.08355   0.36753   0.25445
O30      0.10424   0.45987   0.40468
O31      0.18995   0.81161   0.38199
O32      0.27215   0.92814   0.25215
O33      0.35904   0.89905   0.38250
O34      0.62585   0.81752   0.38256
O35      0.65523   0.73422   0.25416
O36      0.53961   0.64461   0.37959
O37      0.46270   0.10312   0.88892
O38      0.89312   0.35273   0.88294
O39      0.64660   0.54245   0.88104
O40      0.53976   0.89918   0.38161
O41      0.10216   0.64013   0.37592
O42      0.36049   0.46257   0.37202
O43      0.10867   0.47058   0.11147
O44      0.35406   0.89738   0.12229
O45      0.54085   0.64489   0.12477
O46      0.90001   0.54131   0.61472
O47      0.64579   0.10472   0.62236
O48      0.46250   0.35685   0.61626
O49      0.40015   0.80179   0.25152
O50      0.43752   0.71957   0.40570
O51      0.28110   0.71868   0.40365
O52     -0.79488  -0.39542   0.24585
O53     -0.71866  -0.43780   0.40273
O54      0.39893  -0.39649   0.24919
O55     -0.43912  -0.71693   0.90345
O56     -0.40536  -0.80130   0.75049
O57     -0.28321  -0.71710   0.93153
O58      0.71902   0.43759   0.90303
O59      0.80540   0.40502   0.75139
O60     -0.39922   0.40040   0.74870
O61      0.72143   0.43863  -0.40291
O62      0.72270   0.28259  -0.39736
O63     -0.43420  -0.71775  -0.40716
O64     -0.71480  -0.43087   0.08916
O65     -0.71380  -0.27450   0.06346
O66      0.44098   0.72464   0.09803
#
#_symmetry_space_group_name_H-M  P 63/M M C
#_symmetry_Int_Tables_number  194
#
#   Starting Wyckoff positions:
#
#    1    24l     0.6319   0.9112   0.1541
#    2    12k     0.4070   0.8140   0.3943
#
#   Coordination Sequence :
#
# PCOD1530822 V2B4O11         R =  0.0134  194
#   2
#  24 12
#    3   5   6   3   0   0   0   0   0   0
#    5   8   4   0   0   0   0   0   0   0
#
#_framework_density   12.81
#
