data_PCOD1530671
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB11O19        PCOD1530671 R =  0.0148
Probable space group: P 6 M M
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_chemical_formula_sum  "V B11 O19"
_cell_formula_units_Z    3
_cell_length_a         19.6031
_cell_length_b         19.6031
_cell_length_c         20.2464
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          6737.96
_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      0.49450  -0.00199   0.15128
B2     -0.01182   0.49390   0.15532
B3      0.50345   0.49620   0.15878
B4      0.61475   0.00124   0.14052
B5     -0.00609   0.61426   0.14027
B6     -0.62050  -0.61418   0.14357
B7     -0.61982   0.00340   0.13353
B8     -0.00072  -0.61896   0.14495
B9      0.61375   0.62184   0.14577
B10      0.10155  -0.56627   0.04701
B11      0.56794   0.67381   0.04642
B12     -0.66690  -0.09596   0.03630
B13     -0.09780   0.57233   0.03949
B14     -0.57671  -0.66498   0.03913
B15      0.67231   0.09865   0.03817
B16      0.57228  -0.09690   0.04281
B17     -0.67262  -0.56639   0.04670
B18      0.09642   0.66555   0.04068
B19     -0.57001   0.10006   0.02959
B20      0.66508   0.57479   0.04440
B21     -0.09380  -0.67267   0.04311
B22     -0.78723  -0.70773   0.00468
B23      0.70894  -0.08038   0.00402
B24      0.08052   0.78691   0.00367
B25      0.78700   0.70588   0.00308
B26     -0.70821   0.07952  -0.00561
B27     -0.07650  -0.78844   0.00093
B28      0.70890   0.78681   0.00597
B29      0.08172  -0.70616   0.01516
B30     -0.78519  -0.07958  -0.00485
B31     -0.70849  -0.78703  -0.00050
B32     -0.07774   0.70814  -0.00444
B33      0.79138   0.07849   0.00421
V34      0.50501   0.00508  -0.00580
V35      0.00409   0.49997   0.00015
V36      0.49501   0.50546   0.00162
O1      0.55869   0.00163   0.18213
O2      0.50476   0.01203   0.08446
O3      0.43400   0.00471   0.17882
O4     -0.01256   0.55683   0.18414
O5      0.01183   0.50536   0.09029
O6     -0.01181   0.43138   0.18601
O7      0.56006   0.56432   0.18819
O8      0.49524   0.50264   0.09205
O9      0.43698   0.43608   0.18767
O10      0.65459   0.06722   0.10101
O11      0.58823  -0.06906   0.10689
O12     -0.07386   0.59221   0.10417
O13      0.06149   0.64699   0.10210
O14     -0.59652  -0.65439   0.10214
O15     -0.65756  -0.58002   0.11038
O16     -0.66034  -0.06727   0.09980
O17     -0.58922   0.06852   0.09235
O18      0.06844  -0.58008   0.10918
O19     -0.06596  -0.66635   0.10670
O20      0.58283   0.66030   0.11029
O21      0.65421   0.59591   0.10683
O22      0.11031  -0.62674   0.02183
O23      0.08090  -0.52738   0.00149
O24      0.62965   0.73638   0.01465
O25      0.52237   0.60925   0.00730
O26     -0.73098  -0.10419   0.00153
O27     -0.59914  -0.07085   0.00014
O28     -0.10201   0.62951   0.00286
O29     -0.07180   0.52808   0.00659
O30     -0.62968  -0.73349   0.00758
O31     -0.53303  -0.59871   0.00119
O32      0.73950   0.10612   0.00985
O33      0.60955   0.08051  -0.00322
O34      0.63047  -0.10586   0.01290
O35      0.53253  -0.07098   0.00346
O36     -0.73577  -0.62936   0.01654
O37     -0.60896  -0.52244   0.00608
O38      0.10542   0.73338   0.01234
O39      0.08012   0.60430  -0.00188
O40     -0.62867   0.10613  -0.00264
O41     -0.52333   0.08111  -0.00842
O42      0.73445   0.62734   0.01351
O43      0.59945   0.53411   0.00500
O44     -0.10544  -0.73767   0.00757
O45     -0.07089  -0.60412   0.00838
O46     -0.76186  -0.76159   0.00599
O47     -0.86644  -0.73355   0.00777
O48      0.76310  -0.00127   0.00447
O49      0.73507  -0.13376   0.00401
O50      0.00144   0.76184   0.00009
O51      0.13603   0.86539  -0.00191
O52      0.76067   0.75891   0.00448
O53      0.86606   0.73045  -0.00051
O54     -0.75984  -0.00026  -0.00377
O55     -0.73290   0.13388  -0.00223
O56      0.00260  -0.75864   0.01089
O57     -0.12919  -0.86815   0.00312
#
#_symmetry_space_group_name_H-M  P 6 M M
#_symmetry_Int_Tables_number  183
#
#   Starting Wyckoff positions:
#
#    1     3c     0.5000   0.0000   0.1501
#    2     6d     0.6490   0.0000   0.1573
#    3    12f     0.1319  -0.5532   0.0510
#    4    12f    -0.7899  -0.7041   0.0159
#    5     3c     0.5000   0.0000  -0.0199
#
#   Coordination Sequence :
#
# PCOD1530671 VB11O19         R =  0.0148  183
#   5
#   3  6 12 12  3
#    3   4   4   4   8  16  20  28  20   0
#    3   4   4   6  10  14  22  22  24   0
#    3   6   6   8  13  20  23  25  24   0
#    3   6   9  12  14  17  23  26  29   0
#    5   6   4   8  16  20  28  20  24   0
#
#_framework_density    5.34
#
