data_PCOD1534050
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB5O10         PCOD1534050 R =  0.0136
Probable space group: P 4 21 2
;
_chemical_formula_sum  "V B5 O10"
_cell_formula_units_Z    4
_cell_length_a         13.9918
_cell_length_b         13.9918
_cell_length_c         18.4025
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3602.68
_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      0.23727   0.22949   0.49909
B2      0.76029   0.76249   0.50408
B3      0.27384   0.73830   0.50177
B4      0.73734   0.25981   0.49863
V5      0.39139   0.39235   0.50066
V6     -0.39842  -0.39812   0.50439
V7      0.10656   0.89129   0.49855
V8      0.89800   0.09826   0.49743
B9      0.42888   0.69059   0.43042
B10     -0.42210  -0.69332   0.44017
B11     -0.18783   0.90937   0.43185
B12      1.18886   0.07664   0.42933
B13      0.07875   1.19070  -0.43763
B14      0.91408  -0.18074  -0.42857
B15      0.69158   0.41869  -0.43719
B16     -0.68934  -0.41924  -0.42883
B17     -0.52513  -0.40743  -0.36448
B18      0.52313   0.41368  -0.37178
B19      0.90274  -0.02124  -0.35809
B20      0.09558   1.02130  -0.37831
B21      1.02312   0.10201   0.36471
B22     -0.01969   0.90390   0.37342
B23     -0.40351  -0.52425   0.37397
B24      0.41879   0.51943   0.36951
O1      0.31327   0.28873   0.51348
O2      0.24575   0.14215   0.46490
O3      0.14740   0.24515   0.52788
O4      0.75078   0.84071   0.45896
O5      0.68872   0.69767   0.51750
O6      0.84578   0.76046   0.54127
O7      0.21146   0.81386   0.50484
O8      0.35887   0.74350   0.46414
O9      0.26027   0.65383   0.53881
O10      0.81175   0.19659   0.49089
O11      0.74647   0.34822   0.53136
O12      0.64764   0.24759   0.46838
O13      0.37847   0.44801   0.41115
O14      0.44749   0.37533   0.58971
O15      0.48502   0.31344   0.46441
O16      0.32371   0.49352   0.53806
O17     -0.37039  -0.44859   0.41477
O18     -0.46308  -0.36297   0.58760
O19     -0.47929  -0.31422   0.45775
O20     -0.31300  -0.48829   0.53811
O21      0.05207   0.85778   0.41139
O22      0.14035   0.94803   0.58453
O23      0.17706   0.98371   0.45251
O24      0.00354   0.83491   0.54278
O25      0.95377   0.13581   0.41101
O26      0.89038   0.04805   0.58973
O27      0.82763  -0.00742   0.46990
O28      0.98654   0.18098   0.53725
O29      0.40215   0.61282   0.38921
O30     -0.39012  -0.61537   0.40108
O31     -0.11263   0.87883   0.38937
O32      1.11733   0.11147   0.38514
O33      0.11415   1.11425  -0.39843
O34      0.88452  -0.11435  -0.37794
O35      0.61424   0.39242  -0.39512
O36     -0.62116  -0.39470  -0.37797
O37     -0.49538  -0.49714  -0.34294
O38      0.96323  -0.00402  -0.30078
O39      0.99906   0.03920   0.31057
O40     -0.49171  -0.50464   0.34353
#
#_symmetry_space_group_name_H-M  P 4 21 2
#_symmetry_Int_Tables_number   90
#
#   Starting Wyckoff positions:
#
#    1     4f     0.2438   0.2438   0.5000
#    2     4f     0.3916   0.3916   0.5000
#    3     8g     0.4088   0.7010   0.4228
#    4     8g    -0.5377  -0.3961  -0.3701
#
#   Coordination Sequence :
#
# PCOD1534050 VB5O10          R =  0.0136   90
#   4
#   4  4  8  8
#    3   8  12   8  18  28  20  27  34   0
#    5   8   7  15  19  17  30  27  24   0
#    3   7  10  13  17  25  22  24  36   0
#    3   6   7  11  20  20  21  27  28   0
#
#_framework_density    6.66
#
