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#$Date: 2015-10-14 19:42:07 +0300 (Wed, 14 Oct 2015) $
#$Revision: 169009 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/99/1539922.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_1539922
loop_
_publ_author_name
'Bystroem, A.'
'Wilhelmi, K.A.'
_publ_section_title
;
 The crystal structure of chromium trioxide
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1131
_journal_page_last               1141
_journal_volume                  4
_journal_year                    1950
_chemical_formula_sum            'Cr O3'
_chemical_name_systematic        'Cr O3'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.743
_cell_length_b                   8.557
_cell_length_c                   4.789
_cell_volume                     235.345
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Bystroem_ACSAA4_1950_352.cif
_cod_data_source_block           Cr1O3
_cod_original_cell_volume        235.3451
_cod_chemical_formula_sum_orig   'Cr1 O3'
_cod_database_code               1539922
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y,z
x+1/2,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-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
O1 O 0 0 0.444 1 0.0
Cr1 Cr 0.25 0.403 0.806 1 0.0
O3 O 0.25 0.278 0.5 1 0.0
O2 O 0.25 0.222 0 1 0.0