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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/09/2310969.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_2310969
loop_
_publ_author_name
'Spitsbergen, U.'
_publ_section_title
;
 The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              197
_journal_page_last               198
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'Ba Co O2'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.85
_cell_length_b                   5.85
_cell_length_c                   6.73
_cell_volume                     199.461
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Spitsbergen_ACCRA9_1960_996.cif
_cod_data_source_block           Ba1Co1O2
_cod_original_cell_volume        199.4607
_cod_original_formula_sum        'Ba1 Co1 O2'
_cod_database_code               2310969
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-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
Co1 Co+2 0.5 0 0.3333 1 0.0
Ba1 Ba+2 0.65 0 0.8333 1 0.0
O1 O-2 0.41 0.19 0.15 1 0.0
