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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/75/9007517.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_9007517
loop_
_publ_author_name
'Adiwidjaja, G.'
'Lohn, J.'
_publ_section_title
;
 Strukturverfeinerung von enargit, Cu3AsS4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1878
_journal_page_last               1879
_journal_paper_doi               10.1107/S0567740870005034
_journal_volume                  26
_journal_year                    1970
_chemical_compound_source        'Butte, Montana, USA'
_chemical_formula_sum            'As Cu3 S4'
_chemical_name_mineral           Enargite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.407
_cell_length_b                   6.436
_cell_length_c                   6.154
_cell_formula_units_Z            2
_cell_volume                     293.370
_database_code_amcsd             0009381
_exptl_crystal_density_diffrn    4.458
_cod_original_formula_sum        'Cu3 As S4'
_cod_database_code               9007517
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,-y,1/2+z
-x,y,z
1/2-x,-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 0.15140 0.49830 0.01029
Cu2 0.24660 0.32550 0.98660 0.01179
As 0.00000 0.82680 0.00000 ?
S1 0.00000 0.82260 0.64540 ?
S2 0.00000 0.14360 0.11660 0.00100
S3 0.25980 0.33640 0.61880 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009381
