data_PCOD1532966
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B4O11        PCOD1532966 R =  0.0112
Probable space group: P B A 2
;
_chemical_formula_sum  "V2 B4 O11"
_cell_formula_units_Z    2
_cell_length_a          4.8394
_cell_length_b         18.6210
_cell_length_c         18.8996
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1703.12
_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      0.55376   0.07318   0.62562
B2      0.48729   0.92695   0.61300
B3      0.04146   0.43038   0.61357
B4      0.99245   0.57659   0.60891
V5     -0.01831  -0.17769   0.63794
V6      0.04097   0.18133   0.64359
V7      0.48676   0.67752   0.64195
V8      0.53783   0.32798   0.64743
B9     -0.00174   0.22540   0.80413
B10     -0.01763  -0.21882   0.79820
B11      0.49484   0.27716   0.80503
B12      0.49451   0.72708   0.80026
O1      0.32868   0.11811   0.62941
O2      0.81225   0.10426   0.62709
O3      0.51941  -0.00002   0.62041
O4      0.23851   0.89321   0.62453
O5      0.71415   0.88324   0.60612
O6      0.28066   0.39087   0.61308
O7      0.03983   0.50399   0.61078
O8     -0.19560   0.39656   0.63588
O9      0.73810   0.60641   0.62232
O10      1.21533   0.62193   0.60271
O11     -0.04837  -0.18474   0.73402
O12      0.25533  -0.24503   0.63970
O13     -0.24671  -0.25491   0.62648
O14      0.29596   0.25351   0.63626
O15      0.03102   0.19140   0.74007
O16     -0.19774   0.25846   0.63983
O17      0.51663   0.68951   0.73780
O18      0.51403   0.31563   0.74299
O19      0.23718   0.25696   0.82883
O20     -0.26238   0.24471   0.82623
O21      0.23993  -0.24420   0.81658
O22     -0.25952  -0.24609   0.82598
#
#_symmetry_space_group_name_H-M  P B A 2
#_symmetry_Int_Tables_number   32
#
#   Starting Wyckoff positions:
#
#    1     4c     0.5539   0.0752   0.5792
#    2     4c    -0.0165  -0.1678   0.6429
#    3     4c     0.0089   0.2017   0.8217
#
#   Coordination Sequence :
#
# PCOD1532966 V2B4O11         R =  0.0112   32
#   3
#   4  4  4
#    3   9  16  19  21  30  40   0   0   0
#    5   9  12  19  28  30  30   0   0   0
#    3   6   9  12  19  28  30   0   0   0
#
#_framework_density    7.05
#
