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#$Date: 2014-07-11 19:04:56 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/54/2105403.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105403
loop_
_publ_author_name
'Shannon, R.D.'
'Prewitt, C.T.'
_publ_section_title
;
 Crystal structure of a high-pressure form of B2 O3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              869
_journal_page_last               874
_journal_volume                  24
_journal_year                    1968
_chemical_formula_sum            'B2 O3'
_chemical_name_systematic        'B2 O3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2c'
_symmetry_space_group_name_H-M   'C c m 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.613
_cell_length_b                   7.803
_cell_length_c                   4.129
_cell_volume                     148.624
_citation_journal_id_ASTM        ACBCAR
_[local]_cod_data_source_file    boron_296.cif
_[local]_cod_data_source_block   B2O3
_[local]_cod_cif_authors_sg_Hall 'C 2c -2 (y,-x,z)'
_cod_original_cell_volume        148.6243
_cod_database_code               2105403
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,z
-x,y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,z
-x+1/2,y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.2475 0 0.5 1 0.0
O2 O-2 0.3698 0.2911 0.5802 1 0.0
B1 B+3 0.1606 0.1646 0.4335 1 0.0
_journal_paper_doi 10.1107/S0567740868003304