#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/71/9017199.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_9017199
loop_
_publ_author_name
'Marquez-Zavalia M F'
'Galliski, M. A.'
'Drabek, M.'
'Vymazalova, A.'
'Watanabe, Y.'
'Murakami, H.'
'Bernhardt, H. J.'
_publ_section_title
;
 Ishiharaite, (Cu,Ga,Fe,In,Zn)S, a new mineral from the Capillitas mine, Northwestern Argentina
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              969
_journal_page_last               980
_journal_volume                  52
_journal_year                    2015
_chemical_compound_source        'Capillitas mine, Argentina'
_chemical_formula_sum            'Cu0.55 Fe0.13 Ga0.19 In0.08 S Zn0.08'
_chemical_name_mineral           Ishiharaite
_space_group_IT_number           216
_space_group_name_Hall           'F -4 2 3'
_space_group_name_H-M_alt        'F -4 3 m'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.368
_cell_length_b                   5.368
_cell_length_c                   5.368
_cell_formula_units_Z            4
_cell_volume                     154.681
_database_code_amcsd             0020262
_exptl_crystal_density_diffrn    4.377
_cod_data_source_file            inputs/fixed/downloads/07/07411.cif
_cod_data_source_block           07411
_cod_original_formula_sum        'Cu.55 Ga.19 Fe.13 In.08 Zn.08 S'
_cod_database_code               9017199
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-z,x,-y
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
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1/2-x,y,1/2-z
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z,1/2-y,1/2-x
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1/2+z,1/2-y,-x
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y,1/2-x,1/2-z
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1/2-y,x,1/2-z
1/2-y,1/2+x,-z
-x,-z,y
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1/2-x,-z,1/2+y
1/2-x,1/2-z,y
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1/2-z,-y,1/2+x
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z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu 0.00000 0.00000 0.00000 0.55000
Ga 0.00000 0.00000 0.00000 0.19000
Fe 0.00000 0.00000 0.00000 0.13000
In 0.00000 0.00000 0.00000 0.08000
Zn 0.00000 0.00000 0.00000 0.08000
S 0.25000 0.25000 0.25000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020262
