#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/54/2105404.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_2105404
loop_
_publ_author_name
'Gorres, B.T.'
'Montgomery, P.W.'
'Knutson, C.D.'
'Gurr, G.E.'
_publ_section_title
;
 The crystal structure of trigonal diboron trioxide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              906
_journal_page_last               915
_journal_paper_doi               10.1107/S0567740870003369
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'B2 O3'
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.3358
_cell_length_b                   4.3358
_cell_length_c                   8.3397
_cell_volume                     135.775
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            boron_297.cif
_cod_data_source_block           B2O3
_cod_original_cell_volume        135.7749
_cod_database_code               2105404
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
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 0.5468 0.3972 0 1 0.0
O2 O-2 0.1485 0.6004 0.0775 1 0.0
B1 B+3 0.2229 0.3926 -0.0198 1 0.0
O3 O-2 0.0045 0.1608 -0.1291 1 0.0
B2 B+3 0.8281 0.6031 0.0921 1 0.0
