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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000109.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_9000109
loop_
_publ_author_name
'Morimoto, N.'
'Clark, L. A.'
_publ_section_title
;
 Arsenopyrite crystal-chemical relations
 From Freiberg, Germany
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1448
_journal_page_last               1469
_journal_volume                  46
_journal_year                    1961
_chemical_formula_sum            'As Fe S'
_chemical_name_mineral           Arsenopyrite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.0
_cell_angle_beta                 112.28
_cell_angle_gamma                90.0
_cell_length_a                   5.744
_cell_length_b                   5.675
_cell_length_c                   5.785
_cell_formula_units_Z            4
_cell_volume                     174.496
_database_code_amcsd             0000112
_exptl_crystal_density_diffrn    6.198
_cod_original_formula_sum        'Fe As S'
_cod_database_code               9000109
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.27200 0.00000 0.28900
Fe2 0.27500 0.50200 0.78700
As1 0.15400 0.37100 0.36300
As2 0.15500 0.12900 0.86300
S1 0.34600 -0.37000 0.17500
S2 0.34300 -0.13100 0.67500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000112