data_PCOD1530805
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V4B2O13        PCOD1530805 R =  0.0144
Probable space group: P 63/M C M
;
_chemical_formula_sum  "V4 B2 O13"
_cell_formula_units_Z    6
_cell_length_a         16.9160
_cell_length_b         16.9160
_cell_length_c         14.0288
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          3476.54
_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      0.24957   0.52936   0.36183
V2      0.47281   0.72327   0.38120
V3      0.27853   0.74837   0.37293
V4      0.74401   0.47557   0.86791
V5      0.52158   0.28033   0.87267
V6      0.71645   0.25507   0.87557
V7      0.52220   0.25211   0.12425
V8      0.71129   0.47430   0.12531
V9      0.74255   0.28241   0.12504
V10      0.47598   0.75531   0.62906
V11      0.28490   0.53429   0.61580
V12      0.25010   0.72016   0.62655
V13      0.74893   0.47595   0.62263
V14      0.52248   0.28529   0.61799
V15      0.71100   0.25180   0.62253
V16      0.24935   0.53282   0.11910
V17      0.47438   0.72047   0.13014
V18      0.28664   0.75566   0.11878
V19      0.47246   0.75179   0.87643
V20      0.27554   0.53565   0.86589
V21      0.25177   0.73054   0.86449
V22      0.52777   0.25249   0.37247
V23      0.71781   0.47425   0.37525
V24      0.74464   0.27959   0.37841
B25      0.08531   0.46946   0.24235
B26     -0.46408  -0.37545   0.26112
B27      0.36307  -0.08464   0.25032
B28     -0.09162  -0.47019  -0.24601
B29      0.44270   0.36513  -0.25040
B30     -0.37760   0.09136  -0.24648
B31      0.46075   0.08953   0.24793
B32     -0.38396  -0.46479   0.25747
B33     -0.09095   0.36368   0.25091
B34     -0.44411  -0.08106  -0.24322
B35      0.37658   0.47044  -0.25131
B36      0.08330  -0.37019  -0.25050
O1      0.37247   0.61206   0.35696
O2      0.23494   0.62627   0.39447
O3      0.27129   0.51321   0.48665
O4      0.26981   0.50360   0.23935
O5      0.12878   0.47017   0.32566
O6      0.39335   0.76724   0.39290
O7      0.51052   0.76451   0.50329
O8      0.48120   0.75603   0.25530
O9      0.54013   0.66981   0.34450
O10      0.26033   0.75437   0.50114
O11      0.28099   0.72370   0.24555
O12      0.32991   0.86788   0.33402
O13      0.62019   0.39600   0.86560
O14      0.75657   0.37653   0.89526
O15      0.72994   0.50465   0.74459
O16      0.73052   0.49011   0.99588
O17      0.86617   0.53373   0.83636
O18      0.60006   0.23570   0.88693
O19      0.53250   0.26444   0.74472
O20      0.49155   0.24558   0.99786
O21      0.44938   0.32685   0.83360
O22      0.74245   0.28418   0.74779
O23      0.75009   0.25286   1.00014
O24      0.66553   0.13581   0.83637
O25      0.59796   0.37507   0.10418
O26      0.62092   0.23872   0.09859
O27      0.51558   0.28095   0.24910
O28      0.46292   0.13238   0.16398
O29      0.75803   0.39709   0.11676
O30      0.75372   0.48938   0.24934
O31      0.65110   0.53253   0.16969
O32      0.71225   0.27387   0.25216
O33      0.86115   0.33325   0.16704
O34      0.39946   0.63334   0.60339
O35      0.37437   0.76751   0.62460
O36      0.48624   0.72375   0.75224
O37      0.53942   0.87407   0.67105
O38      0.23954   0.61107   0.59109
O39      0.24787   0.53426   0.73907
O40      0.33893   0.47064   0.66158
O41      0.27090   0.77773   0.74304
O42      0.13005   0.65616   0.66429
O43      0.62404   0.39835   0.62762
O44      0.75586   0.37337   0.59670
O45      0.76753   0.50966   0.49542
O46      0.86701   0.52383   0.66739
O47      0.59745   0.23676   0.60060
O48      0.48746   0.24717   0.49448
O49      0.45473   0.33552   0.66219
O50      0.75201   0.24655   0.50195
O51      0.65350   0.13330   0.66675
O52      0.37357   0.60882   0.10794
O53      0.23988   0.63377   0.09333
O54      0.12869   0.47741   0.15680
O55      0.25079   0.50817  -0.00747
O56      0.40248   0.77279   0.11676
O57      0.49915   0.74424   0.00245
O58      0.53261   0.66017   0.17380
O59      0.33272   0.87265   0.16357
O60      0.26132   0.76008  -0.00840
O61      0.38990   0.62992   0.89135
O62      0.37471   0.77044   0.86793
O63      0.54425   0.87168   0.84036
O64      0.23417   0.61613   0.88672
O65      0.33090   0.47029   0.82996
O66      0.12988   0.67151   0.83210
O67      0.60327   0.37541   0.39191
O68      0.62406   0.23819   0.40737
O69      0.46838   0.13278   0.33334
O70      0.76272   0.39567   0.38241
O71      0.66039   0.53819   0.34119
O72      0.86298   0.33014   0.33559
O73     -0.00620   0.44050   0.24669
O74     -0.45902  -0.45392   0.26325
O75      0.43985   0.00016   0.24940
O76     -0.00133  -0.44700  -0.24455
O77      0.44291   0.44644  -0.24714
O78     -0.44283   0.00060  -0.24084
#
#_symmetry_space_group_name_H-M  P 63/M C M
#_symmetry_Int_Tables_number  193
#
#   Starting Wyckoff positions:
#
#    1    24l     0.2390   0.5196   0.3651
#    2    12j     0.0907   0.5090   0.2500
#
#   Coordination Sequence :
#
# PCOD1530805 V4B2O13         R =  0.0144  193
#   2
#  24 12
#    5  10  14  24  43  50  59  88 131 143
#    3   8  16  24  32  52  72  82  98 152
#
#_framework_density   10.36
#
