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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/98/1539821.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_1539821
loop_
_publ_author_name
'Collin, G.'
'Comes, R.'
'Gardette, M.F.'
_publ_section_title
;
 The Fe1-x Cox S system (x< 0.25); transition and the high temperature
 phase
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              791
_journal_page_last               802
_journal_volume                  48
_journal_year                    1987
_chemical_formula_sum            'Co0.08 Fe0.92 S'
_chemical_name_systematic        '(Fe0.92 Co0.08) S'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   6.926
_cell_length_b                   6.926
_cell_length_c                   5.78
_cell_volume                     240.117
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Collin_JPCSAW_1987_532.cif
_cod_data_source_block           Co0.08Fe0.92S1
_cod_original_cell_volume        240.1173
_cod_original_formula_sum        'Co0.08 Fe0.92 S1'
_cod_database_code               1539821
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
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
S1 S-2 0.167 0.334 0.2408 1 0.0
Fe2 Fe+2 0 0 -0.008 0.92 0.0
Fe1 Fe+2 0.5115 0.023 0 0.92 0.0
S2 S-2 0.3333 0.6666 0.7618 1 0.0
Co2 Co+2 0 0 -0.008 0.08 0.0
Co1 Co+2 0.5115 0.023 0 0.08 0.0
