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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/42/8104243.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_8104243
loop_
_publ_author_name
'Fleet, M.E.'
_publ_section_title
;
 Refinement of the crystal structure of cubanite and polymorphism of Cu
 Fe2 S3
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              276
_journal_page_last               287
_journal_volume                  132
_journal_year                    1970
_chemical_formula_sum            'Cu0.3333 Fe0.6667 S'
_chemical_name_systematic        'Cu.3333 Fe.6667 S'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2949
_cell_length_b                   5.2949
_cell_length_c                   5.2949
_cell_volume                     148.448
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Fleet_ZEKGAX_1970_1128.cif
_cod_data_source_block           Cu0.3333Fe0.6667S1
_cod_original_cell_volume        148.4476
_cod_original_formula_sum        'Cu0.3333 Fe0.6667 S1'
_cod_database_code               8104243
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
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-x,y,-z
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z+1/2,y+1/2,x
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z+1/2,-y+1/2,-x
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
Fe1 Fe+2 0.25 0.25 0.25 0.6667 0.0
Cu1 Cu+2 0.25 0.25 0.25 0.3333 0.0
S1 S-2 0 0 0 1 0.0
