#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/10/9011055.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9011055
loop_
_publ_author_name
'Morimoto, N.'
_publ_section_title
;
 Structures of two polymorphic forms of Cu5FeS4
 Sample: metastable, twin process
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              351
_journal_page_last               360
_journal_paper_doi               10.1107/S0365110X64000846
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu1.25 Fe0.25 S'
_chemical_name_mineral           Bornite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                33.53
_cell_angle_beta                 33.53
_cell_angle_gamma                33.53
_cell_length_a                   6.70
_cell_length_b                   6.70
_cell_length_c                   6.70
_cell_formula_units_Z            2
_cell_volume                     81.736
_database_code_amcsd             0009281
_exptl_crystal_density_diffrn    5.098
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Cu1.25 Fe.25 S'
_cod_database_code               9011055
loop_
_space_group_symop_operation_xyz
x,y,z
x,z,y
z,x,y
y,x,z
y,z,x
z,y,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
CuM1a 0.15500 0.15500 0.15500 0.20830
FeM1a 0.15500 0.15500 0.15500 0.04170
CuM1b 0.11500 0.11500 0.19500 0.20830
FeM1b 0.11500 0.11500 0.19500 0.04170
CuM2a 0.36500 0.36500 0.36500 0.20830
FeM2a 0.36500 0.36500 0.36500 0.04170
CuM2b 0.40500 0.40500 0.32500 0.20830
FeM2b 0.40500 0.40500 0.32500 0.04170
CuM3a 0.63500 0.63500 0.63500 0.20830
FeM3a 0.63500 0.63500 0.63500 0.04170
CuM3b 0.59500 0.59500 0.67500 0.20830
FeM3b 0.59500 0.59500 0.67500 0.04170
S1 0.00000 0.00000 0.00000 1.00000
S2 0.50000 0.50000 0.50000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009281
