#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310566.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_2310566
loop_
_publ_author_name
'Douglass, R.M.'
_publ_section_title
;
 The crystal structure of H Cr O2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              423
_journal_page_last               427
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'Cr H O2'
_chemical_name_systematic        'H (Cr O2)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                36.3
_cell_angle_beta                 36.3
_cell_angle_gamma                36.3
_cell_formula_units_Z            1
_cell_length_a                   4.787
_cell_length_b                   4.787
_cell_length_c                   4.787
_cell_volume                     34.405
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Douglass_ACCRA9_1957_241.cif
_cod_data_source_block           H1Cr1O2
_cod_original_cell_volume        34.40545
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'H1 Cr1 O2'
_cod_database_code               2310566
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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
H1 H+1 0.48 0.48 0.48 0.5 0.0
O1 O-2 0.405 0.405 0.405 1 0.0
Cr1 Cr+3 0 0 0 1 0.0
