data_PCOD1533987
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB5O10         PCOD1533987 R =  0.0140
Probable space group: P 42/M N M
;
_chemical_formula_sum  "V B5 O10"
_cell_formula_units_Z    8
_cell_length_a         18.0522
_cell_length_b         18.0522
_cell_length_c         13.2737
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          4325.67
_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      0.06239   0.06397   0.62669
V2      0.93395   0.93818   0.63453
V3      0.43468   0.56343   0.12952
V4      0.57303   0.43702   0.14041
V5      0.42961   0.56599   0.86853
V6      0.56540   0.43120   0.87979
V7      0.07111   0.06940   0.36201
V8      0.93230   0.94067   0.36240
B9      0.17989   0.18436   0.64593
B10     -0.18907  -0.18409   0.64143
B11      0.31429   0.68015   1.14438
B12      0.68496   0.31442   1.15192
B13      0.31058   0.68541  -0.14348
B14      0.68828   0.31854  -0.11144
B15      0.19485   0.18619  -0.63946
B16     -0.17952  -0.18110  -0.65831
B17      0.78281   0.41188   0.08697
B18     -0.78987  -0.41350   0.08971
B19      0.08717   1.29103   0.59865
B20      0.90475  -0.28523   0.59214
B21     -0.28319   0.91503   0.40058
B22      1.29444   0.09297   0.40996
B23      0.40548   0.78649  -0.08626
B24     -0.41385  -0.78127  -0.10632
B25     -0.79541  -0.41088  -0.09829
B26      0.79253   0.40674  -0.10324
B27      0.91036  -0.28510   0.40262
B28      0.09284   1.28665   0.40961
B29      1.28547   0.09213   0.59618
B30     -0.29188   0.91168   0.58976
B31     -0.40963  -0.78688   0.08981
B32      0.40776   0.78838   0.10135
B33      0.20532  -0.02373   0.40180
B34     -0.20127   0.03501   0.40471
B35      0.52490   0.70355   0.89502
B36      0.46452   0.29454   0.89361
B37      0.29489   0.46645   0.10200
B38      0.70332   0.53616   0.10543
B39     -0.02796   0.20676  -0.40565
B40      0.02284  -0.20118  -0.40458
B41     -0.20602   0.02804  -0.40106
B42      0.20120  -0.02671  -0.40526
B43      0.48063   0.29694   0.10066
B44      0.52126   0.70406   0.10133
B45      0.70252   0.51996   0.89936
B46      0.29263   0.47870   0.89851
B47      0.02466  -0.19815   0.40217
B48     -0.02403   0.20627   0.40008
O1      0.08808   0.08511   0.49656
O2      0.12987   0.13037   0.67389
O3     -0.00890   0.13576   0.62296
O4      0.13069  -0.01060   0.62780
O5     -0.00192   0.00324   0.69388
O6      0.91995   0.92906   0.49870
O7      0.86625   0.86621   0.66161
O8      1.00842   0.86973   0.62822
O9      0.86190   1.00921   0.63891
O10      0.49965   0.49821   0.18693
O11      0.36721   0.48884   0.11485
O12      0.50537   0.63536   0.14110
O13      0.41708   0.59325   0.00004
O14      0.36395   0.62702   0.17582
O15      0.63270   0.51974   0.13867
O16      0.50099   0.36549   0.13580
O17      0.54921   0.46077   0.00982
O18      0.63470   0.36462   0.19023
O19      0.49700   0.49615   0.82981
O20      0.50484   0.63403   0.86155
O21      0.35772   0.49548   0.84843
O22      0.36449   0.63631   0.82552
O23      0.48663   0.36748   0.89424
O24      0.63176   0.50755   0.86379
O25      0.64471   0.37583   0.92283
O26      0.13488  -0.00966   0.36646
O27     -0.00594   0.13551   0.37077
O28      0.15077   0.12795   0.33018
O29      0.00204   0.00452   0.31143
O30      0.86870   1.01984   0.36848
O31      1.00762   0.87257   0.37124
O32      0.87492   0.86658   0.30815
O33      0.24688   0.15714   0.61282
O34      0.15076   0.25251   0.62297
O35     -0.16268  -0.25220   0.61224
O36     -0.25619  -0.15325   0.61615
O37      0.34434   0.74732   1.11879
O38      0.24794   0.65138   1.11074
O39      0.74786   0.34677   1.11295
O40      0.65483   0.25017   1.11454
O41      0.33967   0.74967  -0.10434
O42      0.24451   0.65345  -0.11585
O43      0.76012   0.33969  -0.12977
O44      0.65122   0.25407  -0.13348
O45      0.15785   0.24832  -0.60737
O46      0.26363   0.16191  -0.60936
O47     -0.24307  -0.14753  -0.62409
O48     -0.15415  -0.24785  -0.62187
O49      0.81808   0.41040  -0.00528
O50      0.75361   0.47935   0.11530
O51     -0.82537  -0.41483  -0.00242
O52     -0.75790  -0.47988   0.11778
O53      0.08800   1.32080   0.50263
O54      0.02012   1.26089   0.62775
O55      0.90990  -0.31666   0.49748
O56      0.96923  -0.25129   0.62387
O57     -0.31909   0.91232   0.49247
O58     -0.25368   0.98313   0.37604
O59      1.32383   0.08860   0.50614
O60      1.25655   0.03060   0.37918
O61      0.41057   0.82049   0.00691
O62      0.47127   0.75683  -0.12043
O63     -0.41433  -0.80940  -0.00953
O64     -0.48108  -0.75377  -0.13842
O65     -0.76584  -0.47713  -0.13199
O66      0.75512   0.46981  -0.13374
O67      0.97555  -0.25259   0.37215
O68      0.02744   1.25892   0.37119
O69      1.25232   0.02606   0.62295
O70     -0.26168   0.97807   0.62118
O71     -0.47447  -0.76087   0.13151
O72      0.47395   0.75898   0.13514
O73      0.20933  -0.05322   0.49771
O74     -0.20575   0.05815   0.50359
O75      0.57167   0.70966   0.97595
O76      0.41220   0.27025   0.96078
O77      0.27946   0.40882   0.03796
O78      0.71211   0.58686   0.02942
O79     -0.05220   0.21380  -0.50391
O80      0.05102  -0.20662  -0.50112
#
#_symmetry_space_group_name_H-M  P 42/M N M
#_symmetry_Int_Tables_number  136
#
#   Starting Wyckoff positions:
#
#    1     8j     0.0659   0.0659   0.6368
#    2     8j     0.1961   0.1961   0.6180
#    3    16k     0.7827   0.4160   0.0934
#    4    16k     0.2063  -0.0373   0.4017
#
#   Coordination Sequence :
#
# PCOD1533987 VB5O10          R =  0.0140  136
#   4
#   8  8 16 16
#    5   9   7   2   0   0   0   0   0   0
#    3   6   7   5   2   0   0   0   0   0
#    3   4   4   5   5   2   0   0   0   0
#    3   5   7   6   2   0   0   0   0   0
#
#_framework_density   11.10
#
