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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009468.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_9009468
loop_
_publ_author_name
'Peterson, R. C.'
'Miller, I.'
_publ_section_title
;
 Crystal structure and cation distribution in freibergite and tetrahedrite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              717
_journal_page_last               721
_journal_paper_doi               10.1180/minmag.1986.050.358.19
_journal_volume                  50
_journal_year                    1986
_chemical_compound_source        'Keno Hill, Yukon, Canada'
_chemical_formula_sum
'Ag4.2 As0.12 Cu5.82 Fe1.56 S13 Sb3.88 Zn0.42'
_chemical_name_mineral           Freibergite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.610
_cell_length_b                   10.610
_cell_length_c                   10.610
_cell_formula_units_Z            2
_cell_volume                     1194.390
_database_code_amcsd             0014484
_exptl_crystal_density_diffrn    5.104
_cod_original_formula_sum
'Cu5.82 Zn.42 Ag4.2 Fe1.56 (Sb3.88 As.12) S13'
_cod_database_code               9009468
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-z,x,-y
1/2-z,1/2+x,1/2-y
-y,z,-x
1/2-y,1/2+z,1/2-x
-x,y,-z
1/2-x,1/2+y,1/2-z
x,-z,-y
1/2+x,1/2-z,1/2-y
z,-y,-x
1/2+z,1/2-y,1/2-x
y,-x,-z
1/2+y,1/2-x,1/2-z
x,z,y
1/2+x,1/2+z,1/2+y
z,y,x
1/2+z,1/2+y,1/2+x
y,x,z
1/2+y,1/2+x,1/2+z
-z,-x,y
1/2-z,1/2-x,1/2+y
-y,-z,x
1/2-y,1/2-z,1/2+x
-x,-y,z
1/2-x,1/2-y,1/2+z
z,-x,-y
1/2+z,1/2-x,1/2-y
y,-z,-x
1/2+y,1/2-z,1/2-x
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,z,-y
1/2-x,1/2+z,1/2-y
-z,y,-x
1/2-z,1/2+y,1/2-x
-y,x,-z
1/2-y,1/2+x,1/2-z
-x,-z,y
1/2-x,1/2-z,1/2+y
-z,-y,x
1/2-z,1/2-y,1/2+x
-y,-x,z
1/2-y,1/2-x,1/2+z
z,x,y
1/2+z,1/2+x,1/2+y
y,z,x
1/2+y,1/2+z,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cu1 0.25000 0.50000 0.00000 0.97000 ?
Zn1 0.25000 0.50000 0.00000 0.03000 ?
Ag2 0.21670 0.00000 0.00000 0.70000 ?
Fe2 0.21670 0.00000 0.00000 0.26000 ?
Zn2 0.21670 0.00000 0.00000 0.04000 ?
Sb 0.26850 0.26850 0.26850 0.97000 ?
As 0.26850 0.26850 0.26850 0.03000 ?
S1 0.12130 0.12130 0.36830 1.00000 ?
S2 0.00000 0.00000 0.00000 1.00000 0.14565
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014484
