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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011133.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_9011133
loop_
_publ_author_name
'Garin, J.'
'Parthe, E.'
_publ_section_title
;
 The crystal structure of Cu3PSe4 and other ternary normal tetrahedral
 structure compounds with composition 1_356_4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3672
_journal_page_last               3674
_journal_paper_doi               10.1107/S0567740872008568
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu3 S4 Sb'
_chemical_name_mineral           Famatinite
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.385
_cell_length_b                   5.385
_cell_length_c                   10.754
_cell_formula_units_Z            2
_cell_volume                     311.847
_database_code_amcsd             0009468
_exptl_crystal_density_diffrn    4.693
_cod_original_formula_sum        'Cu3 Sb S4'
_cod_database_code               9011133
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
x,-y,-z
1/2+x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1 0.00000 0.00000 0.50000 0.04585
Cu2 0.00000 0.50000 0.25000 0.04547
Sb 0.00000 0.00000 0.00000 0.00747
S 0.25500 0.25500 0.13200 0.03217
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009468
