data_PCOD1533909
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B24O41       PCOD1533909 R =  0.0087
Probable space group: P 4/M M M
;
_chemical_formula_sum  "V2 B24 O41"
_cell_formula_units_Z    1
_cell_length_a         19.2291
_cell_length_b         19.2291
_cell_length_c         12.3649
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          4572.03
_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      0.11746   0.11484   0.67252
B2      0.88308   0.88370   0.67171
B3      0.88012   0.11089   0.67546
B4      0.11539   0.88352   0.67046
B5      0.88290   0.88265   0.32642
B6      0.11828   0.11394   0.32115
B7      0.11306   0.88262   0.33712
B8      0.88251   0.11805   0.30976
V9     -0.00009  -0.00064   0.63520
V10     -0.00255   0.00206  -0.65639
B11      0.75818   0.06477   0.60369
B12     -0.75928  -0.07048   0.60636
B13     -0.06699   0.76105   0.60497
B14      0.06313  -0.76574   0.60003
B15     -0.75975   0.06643  -0.60121
B16      0.75988  -0.07246  -0.60559
B17      0.06884   0.75554  -0.60061
B18     -0.07349  -0.76059  -0.60911
B19     -0.76085  -0.07015  -0.60347
B20      0.76473   0.06527  -0.60739
B21      0.06247  -0.76559  -0.61292
B22     -0.06691   0.75867  -0.60586
B23      0.75847  -0.07136   0.60425
B24     -0.75910   0.06698   0.60907
B25     -0.07340  -0.76553   0.60302
B26      0.06967   0.75680   0.60872
O1      0.06719   0.06501   0.65818
O2      0.18623   0.09597   0.66484
O3      0.09952   0.18297   0.65347
O4      0.90104   0.81492   0.65902
O5      0.81424   0.90171   0.66007
O6      0.93215   0.93298   0.64702
O7      0.81234   0.08913   0.66604
O8      0.93399   0.06411   0.67092
O9      0.89391   0.17957   0.65316
O10      0.09902   0.81467   0.65579
O11      0.06401   0.93290   0.67159
O12      0.18383   0.90285   0.65976
O13      0.81287   0.89489   0.33943
O14      0.90699   0.81612   0.34142
O15      0.92771   0.93807   0.33118
O16      0.06919   0.06224   0.31867
O17      0.09555   0.18121   0.33360
O18      0.18634   0.09696   0.34284
O19      0.09769   0.81359   0.35215
O20      0.06033   0.93071   0.33999
O21      0.18100   0.90413   0.34526
O22      0.81642   0.09405   0.33007
O23      0.93625   0.07128   0.30944
O24      0.89432   0.18656   0.33506
O25      0.01109   0.01009   0.48931
O26      0.73959  -0.00335   0.62346
O27      0.75631   0.08733   0.49787
O28     -0.74413  -0.00195   0.62916
O29     -0.74925  -0.09193   0.50118
O30      0.00054   0.74523   0.63241
O31     -0.08756   0.74891   0.49990
O32     -0.00480  -0.75438   0.62996
O33      0.08061  -0.75437   0.49356
O34     -0.74423  -0.00183  -0.62490
O35     -0.74966   0.08842  -0.49629
O36      0.74812  -0.00324  -0.62792
O37      0.74889  -0.09375  -0.50051
O38      0.00098   0.74056  -0.62793
O39      0.08935   0.74133  -0.49593
O40     -0.00521  -0.74910  -0.63853
O41     -0.09144  -0.75105  -0.50243
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Starting Wyckoff positions:
#
#    1     8r     0.1277   0.1277   0.7047
#    2     2g     0.0000   0.0000   0.6399
#    3    16u     0.7501   0.0647   0.6071
#
#   Coordination Sequence :
#
# PCOD1533909 V2B24O41        R =  0.0087  123
#   3
#   8  2 16
#    3   8  10   4   0   0   0   0   0   0
#    5  12   8   0   0   0   0   0   0   0
#    3   5   7   7   3   0   0   0   0   0
#
#_framework_density    5.69
#
