#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/64/2106443.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_2106443
loop_
_publ_author_name
'Stephens, J.S.'
'Cruickshank, D.W.J.'
_publ_section_title
;
 The crystal structure of (Cr O3)infinite
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              222
_journal_page_last               226
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Cr O3'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'C -2c 2'
_symmetry_space_group_name_H-M   'C 2 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.789
_cell_length_b                   8.557
_cell_length_c                   5.743
_cell_volume                     235.345
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Stephens_ACBCAR_1970_1793.cif
_cod_data_source_block           Cr1O3
_cod_original_cell_volume        235.3451
_cod_original_sg_symbol_Hall     'A 2 -2a (z,y,-x)'
_cod_original_formula_sum        'Cr1 O3'
_cod_database_code               2106443
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,y,-z+1/2
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z+1/2
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
O3 O-2 0.3284 0.3922 0.25 1 0.0
O1 O-2 0.1159 0.5 0 1 0.0
O2 O-2 0.1245 0.2323 0.25 1 0.0
Cr1 Cr+6 0 0.40324 0.25 1 0.0
