#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/22/7222220.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_7222220
loop_
_publ_author_name
'Wakeshima, M.'
'Hinatsu, Y.'
'Ishii, Y.'
'Shimojo, Y.'
'Morii, Y.'
_publ_section_title
;
 Crystal structures and magnetic properties of cobalt chalcogenides Ba La2
 Co (S1-x Sex)5 (0.0 <= x <= 0.4)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              631
_journal_page_last               634
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'Ba Co La2 S5'
_chemical_name_systematic        'Ba La2 Co S5'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9177
_cell_length_b                   7.9177
_cell_length_c                   13.5571
_cell_volume                     849.894
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Wakeshima_JMACEP_2002_617.cif
_cod_data_source_block           Ba1Co1La2S5
_cod_original_cell_volume        849.8942
_cod_original_formula_sum        'Ba1 Co1 La2 S5'
_cod_database_code               7222220
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+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
S3 S-2 0.1482 0.6482 0.6345 1 0.0
La1 La+3 0.1625 0.6625 0 1 0.0
S1 S-2 0 0 0 1 0.0
S4 S-2 0.6482 0.8518 0.6345 1 0.0
Co2 Co+2 0 0.5 0.75 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
Co1 Co+2 0 0.5 0.25 1 0.0
S2 S-2 0 0 0.5 1 0.0
