data_PCOD1534372
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B20O35       PCOD1534372 R =  0.0105
Probable space group: P 4/M B M
;
_chemical_formula_sum  "V2 B20 O35"
_cell_formula_units_Z    2
_cell_length_a         19.2190
_cell_length_b         19.2190
_cell_length_c         11.3432
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          4189.87
_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      0.07011   0.56544   0.49443
V2      0.93188   0.43412   0.50014
V3      0.43186   0.07016   0.49827
V4      0.56827   0.93442   0.50115
B5     -0.13505   0.53525   0.31387
B6      0.13383  -0.53582   0.30969
B7     -0.53558  -0.13313   0.32490
B8      0.53192   0.13068   0.30859
B9      0.63007   1.03754  -0.31167
B10      0.36967  -0.03536  -0.31817
B11      1.03192   0.37152  -0.31083
B12     -0.03006   0.63159  -0.31905
B13      0.12533  -0.53376  -0.30886
B14     -0.12360   0.53501  -0.30721
B15      0.53141   0.13344  -0.31213
B16     -0.53412  -0.13190  -0.31881
B17      0.37036  -0.03269   0.31476
B18      0.62605   1.03573   0.31153
B19     -0.03571   0.62576   0.31244
B20      1.03270   0.37316   0.31154
B21      0.23891  -0.60392  -0.38104
B22     -0.23911   0.60353  -0.37702
B23      0.59906   0.24457  -0.39127
B24     -0.60100  -0.24984  -0.38735
B25      0.26026  -0.10621   0.37910
B26      0.73858   1.10656   0.38996
B27     -0.10224   0.74267   0.38452
B28      1.10644   0.26357   0.38252
B29     -0.24566   0.60652   0.38709
B30      0.24835  -0.59990   0.38610
B31     -0.59870  -0.25459   0.38250
B32      0.60303   0.24287   0.37469
B33      0.74407   1.10459  -0.37352
B34      0.25618  -0.10552  -0.38425
B35      1.10491   0.25990  -0.38108
B36     -0.10224   0.74532  -0.38273
B37      0.73660   1.23918   0.39352
B38     -0.73175  -0.24073   0.38212
B39     -0.23644   0.73901   0.38911
B40      1.24173  -0.73211   0.38688
B41     -0.23671   0.73632  -0.38242
B42      1.23681  -0.73900  -0.38555
B43      0.73449   1.23692  -0.37866
B44     -0.73600  -0.23809  -0.38872
O1      0.02289   0.60853   0.37503
O2      0.00411   0.49743   0.49648
O3      0.12182   0.51829   0.38618
O4      0.02218   0.61684   0.60227
O5      0.11553   0.52056   0.61406
O6      0.97564   0.38895   0.37923
O7      0.88050   0.48404   0.39431
O8      0.98048   0.38218   0.60679
O9      0.88810   0.47815   0.62198
O10      0.47931   0.12159   0.38933
O11      0.38576   0.02542   0.38002
O12      0.50027   0.00448   0.49506
O13      0.38421   0.01907   0.60731
O14      0.47599   0.11620   0.61732
O15      0.61442   0.97921   0.38311
O16      0.61651   0.98416   0.61116
O17      0.52190   0.88255   0.39165
O18      0.52412   0.88631   0.61790
O19     -0.07910   0.57337   0.27383
O20     -0.19796   0.56910   0.32211
O21      0.19623  -0.57040   0.31920
O22      0.07621  -0.57377   0.27682
O23     -0.56579  -0.19778   0.33375
O24     -0.57600  -0.07785   0.28927
O25      0.56911   0.19194   0.31153
O26      0.56842   0.07237   0.27477
O27      0.69556   1.06649  -0.31182
O28      0.57573   1.08045  -0.28042
O29      0.30518  -0.06629  -0.32571
O30      0.42371  -0.07783  -0.28406
O31      1.07000   0.31111  -0.32051
O32      1.06773   0.42945  -0.27228
O33     -0.06744   0.57571  -0.27642
O34     -0.06456   0.69410  -0.32648
O35      0.18615  -0.57125  -0.32030
O36     -0.18645   0.56903  -0.31904
O37      0.55907   0.19896  -0.32658
O38     -0.56432  -0.19582  -0.33759
O39      0.30502  -0.06172   0.32164
O40      0.68652   1.07274   0.32946
O41     -0.06623   0.68992   0.32995
O42      1.06335   0.30860   0.32248
O43      0.25450  -0.67199  -0.35344
O44      0.25026  -0.58306  -0.49562
O45     -0.25566   0.67062  -0.34390
O46     -0.24905   0.58986  -0.49491
O47      0.66635   0.25442  -0.35318
O48      0.58362   0.25137  -0.50923
O49     -0.66979  -0.25799  -0.35573
O50     -0.58341  -0.26831  -0.50080
O51      0.25438  -0.17422   0.34210
O52      0.24809  -0.09310   0.49664
O53      0.75619   1.17342   0.35744
O54      0.74791   1.09067   0.50744
O55     -0.17008   0.75583   0.35210
O56     -0.08638   0.75706   0.50042
O57      1.17455   0.25652   0.34722
O58      1.09173   0.25373   0.50002
O59     -0.25925   0.67393   0.35412
O60      0.26807  -0.66727   0.35953
O61     -0.66704  -0.26603   0.35085
O62      0.67181   0.25834   0.35199
O63      0.75572   1.17251  -0.33939
O64      0.24463  -0.17313  -0.34831
O65      1.17145   0.24128  -0.34812
O66     -0.17034   0.75595  -0.34938
O67      0.75399   1.25508   0.50836
O68     -0.75327  -0.25361   0.49602
O69     -0.25413   0.75510   0.50390
O70      1.25427  -0.75594   0.49979
#
#_symmetry_space_group_name_H-M  P 4/M B M
#_symmetry_Int_Tables_number  127
#
#   Starting Wyckoff positions:
#
#    1     4h     0.0698   0.5698   0.5000
#    2    16l    -0.1277   0.5339   0.2913
#    3    16l     0.2402  -0.6114  -0.3917
#    4     8k     0.7414   1.2414   0.3765
#
#   Coordination Sequence :
#
# PCOD1534372 V2B20O35        R =  0.0105  127
#   4
#   4 16 16  8
#    5   8   8   0   0   0   0   0   0   0
#    3   7   7   4   0   0   0   0   0   0
#    3   5   5   4   4   0   0   0   0   0
#    3   4   4   4   4   2   0   0   0   0
#
#_framework_density   10.50
#
