#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/02/1540202.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_1540202
loop_
_publ_author_name
'Kanazawa, Y.'
'Koto, K.'
'Morimoto, N.'
_publ_section_title
;
 Bornite Cu5 Fe S4. Stability and crystal structure of the intermediate
 form
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              397
_journal_page_last               404
_journal_volume                  16
_journal_year                    1978
_chemical_formula_sum            'Cu5 Fe S4'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.9806
_cell_length_b                   10.9806
_cell_length_c                   10.9806
_cell_volume                     1323.970
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Kanazawa_CAMIA6_1978_1327.cif
_cod_data_source_block           Cu5Fe1S4
_cod_original_cell_volume        1323.97
_cod_original_formula_sum        'Cu5 Fe1 S4'
_cod_database_code               1540202
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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 0.2535 0 0 1 0.0
S2 S 0.25 0.25 0.25 1 0.0
Cu1 Cu 0.0909 0.0909 0.0909 0.1786 0.0
Fe1 Fe 0.0909 0.0909 0.0909 0.0357 0.0
Fe2 Fe 0.1295 0.1295 0.1069 0.0357 0.0
Cu2 Cu 0.1295 0.1295 0.1069 0.1786 0.0
Cu3 Cu 0.3614 0.1386 0.1133 0.1786 0.0
Fe3 Fe 0.3614 0.1386 0.1133 0.0357 0.0
