data_PCOD1502140
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
B2O3           PCOD1502140 R =  0.0030
Probable space group: P 4 C C
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_chemical_formula_sum  "B2 O3"
_cell_formula_units_Z    8
_cell_length_a          8.8614
_cell_length_b          8.8614
_cell_length_c          7.1553
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           561.87
_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
B1      0.56473   0.79125   0.15562
B2      0.42778   0.18710   0.16016
B3      0.19062   0.57686   0.15632
B4      0.81655   0.42757   0.15082
B5      0.57673   0.20343   0.65212
B6      0.41382   0.81347   0.65840
B7      0.18864   0.42681   0.65131
B8      0.80901   0.57649   0.65118
B9      0.32253   0.77492   0.33013
B10     -0.33085  -0.76794   0.31813
B11     -0.76743   0.33528   0.32436
B12      0.77670  -0.33424   0.31702
B13      0.33886  -0.76282   0.82982
B14     -0.34654   0.76127   0.82056
B15     -0.78762  -0.33381   0.82084
B16      0.78343   0.33369   0.82127
O1      0.41214   0.80886   0.17941
O2      0.65513   0.76130   0.30660
O3      0.62912   0.83168  -0.01142
O4      0.34565   0.22990   0.31383
O5      0.58225   0.19735   0.16521
O6      0.35361   0.16064  -0.00471
O7      0.21337   0.66624   0.31052
O8      0.20038   0.42296   0.17153
O9      0.14601   0.64086  -0.00896
O10      0.81650   0.58200   0.16336
O11      0.85534   0.35527  -0.01143
O12      0.77520   0.34430   0.30435
O13      0.66774   0.23183   0.80335
O14      0.42358   0.19291   0.67887
O15      0.64084   0.16209   0.48529
O16      0.34317   0.85096   0.49472
O17      0.56743   0.79846   0.66772
O18      0.32756   0.76923   0.80790
O19      0.15353   0.35567   0.48706
O20      0.22745   0.34264   0.80486
O21      0.17351   0.58013   0.66884
O22      0.82109   0.42311   0.67195
O23      0.77343   0.66465   0.80238
O24      0.84751   0.64240   0.48475
#
#_symmetry_space_group_name_H-M  P 4 C C
#_symmetry_Int_Tables_number  103
#
#   Starting Wyckoff positions:
#
#    1     8d     0.5742   0.8442   0.1481
#    2     8d     0.2983   0.8152   0.3257
#
#   Coordination Sequence :
#
# PCOD1502140 B2O3            R =  0.0030  103
#   1
#  16
#    3   6   9  11  11  10   9   8   8   0
#
