#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/80/9008011.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_9008011
loop_
_publ_author_name
'Hofmann, W.'
_publ_section_title
;
 Strukturelle und morphologische zusammenhange bei erzen
 vom formeltyp ABC2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              177
_journal_page_last               203
_journal_volume                  84
_journal_year                    1932
_chemical_formula_sum            'Cu S2 Sb'
_chemical_name_mineral           Chalcostibite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.02
_cell_length_b                   3.791
_cell_length_c                   14.485
_cell_formula_units_Z            4
_cell_volume                     330.574
_database_code_amcsd             0010509
_exptl_crystal_density_diffrn    5.012
_cod_original_formula_sum        'Cu Sb S2'
_cod_database_code               9008011
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu 0.75000 0.75000 0.17500
Sb 0.22800 0.25000 0.06250
S1 0.62500 0.25000 0.09700
S2 0.12500 0.75000 0.17500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010509
