data_PCOD1501073
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
B2O3           PCOD1501073 R =  0.0043
Probable space group: P 21
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_chemical_formula_sum  "B2 O3"
_cell_formula_units_Z    4
_cell_length_a          8.0070
_cell_length_b          4.7164
_cell_length_c         10.7919
_cell_angle_alpha     90.000
_cell_angle_beta     102.413
_cell_angle_gamma     90.000
_cell_volume           398.02
_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      0.31783   0.92691   0.29629
B2      0.67123   0.42082   0.71087
B3      0.14839   0.96301   0.07905
B4     -0.14297   1.45964  -0.07596
B5      0.22175   0.43449   0.31291
B6     -0.23832   0.93168  -0.30718
B7     -0.04151   1.31355   0.14766
B8      0.03363   1.83391  -0.14288
O1      0.29826   0.92206   0.16654
O2      0.30978   0.67544   0.35886
O3      0.28816   1.17487   0.35422
O4      0.70766   0.66502   0.65234
O5      0.70340   0.41834   0.84105
O6      0.66480   0.16569   0.64859
O7      0.00580   1.04410   0.12128
O8      0.14473   0.97614  -0.04862
O9     -0.13915   1.47032   0.05168
O10     -0.00508   1.55768  -0.12025
O11      0.05380   0.45409   0.25041
O12     -0.07598   0.97672  -0.23729
#
#_symmetry_space_group_name_H-M  P 21
#_symmetry_Int_Tables_number    4
#
#   Starting Wyckoff positions:
#
#    1     2a     0.3049   0.9421   0.3059
#    2     2a     0.1416   0.9241   0.0946
#    3     2a     0.2723   0.4055   0.2717
#    4     2a     0.0327   1.3636   0.1011
#
#   Coordination Sequence :
#
# PCOD1501073 B2O3            R =  0.0043    4
#   2
#   4  4
#    3   5   7   8   8   8   8   0   0   0
#    3   5   6   6   7   8   8   0   0   0
#
#_framework_density   20.10
#
