#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008255.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_9008255
loop_
_publ_author_name
'Kudoh, Y.'
'Takeuchi, Y.'
_publ_section_title
;
 The superstructure of stannoidite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              145
_journal_page_last               160
_journal_volume                  144
_journal_year                    1976
_chemical_compound_source        'Konjo mine, Japan'
_chemical_formula_sum            'Cu8 Fe2.15 S12 Sn2 Zn0.85'
_chemical_name_mineral           Stannoidite
_space_group_IT_number           23
_symmetry_space_group_name_Hall  'I 2 2'
_symmetry_space_group_name_H-M   'I 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.767
_cell_length_b                   5.411
_cell_length_c                   16.118
_cell_formula_units_Z            2
_cell_volume                     939.038
_database_code_amcsd             0010783
_exptl_crystal_density_diffrn    4.620
_cod_original_formula_sum        'Zn.85 Fe2.15 Cu8 Sn2 S12'
_cod_database_code               9008255
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,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
-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_occupancy
Zn1 0.00000 0.00000 0.00000 0.85000
Fe1 0.00000 0.00000 0.00000 0.15000
Cu2 0.50000 0.00000 0.00000 1.00000
Cu3 0.00000 0.00000 0.50000 1.00000
Cu4 0.25110 0.00000 0.50000 1.00000
Fe5 0.00000 0.00000 0.32980 1.00000
Sn6 0.00000 0.50000 0.16930 1.00000
Cu7 0.24650 0.01070 0.16950 1.00000
S1 0.13080 0.24430 0.08260 1.00000
S2 0.37920 0.75580 0.08010 1.00000
S3 0.12940 0.74880 0.25460 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010783
