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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/07/1510794.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1510794
loop_
_publ_author_name
'Sankey, O.F.'
'McMillan, P.F.'
'Grumbach, M.P.'
_publ_section_title
;
 Properties of B2 O: an unsymmetrical analog of carbon
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              15807
_journal_page_last               15811
_journal_paper_doi               10.1103/PhysRevB.52.15807
_journal_volume                  52
_journal_year                    1995
_chemical_formula_sum            'B2 O'
_chemical_name_systematic        'B2 O'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.879
_cell_length_b                   2.879
_cell_length_c                   7.052
_cell_volume                     50.620
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            boron_293.cif
_cod_data_source_block           B2O1
_cod_original_cell_volume        50.62048
_cod_original_formula_sum        'B2 O1'
_cod_database_code               1510794
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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
B2 B+1 0 0 0.38 1 0.0
B1 B+1 0.6667 0.3333 0.023 1 0.0
O1 O-2 0.6667 0.3333 0.306 1 0.0