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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/26/9012609.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_9012609
loop_
_publ_author_name
'Rozhdestvenskaya, I. V.'
'Zayakina, N. V.'
'Samusikov, V. P.'
_publ_section_title
;
 Crystal structure features of minerals from a series of
 tetrahedrite-freibergite
 Sample: 3
;
_journal_name_full               'Mineralogiceskij Zhurnal'
_journal_page_first              9
_journal_page_last               17
_journal_volume                  15
_journal_year                    1993
_chemical_formula_sum            'Ag3.54 Cu6.3 Fe0.72 S13 Sb4 Zn1.44'
_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                   10.576
_cell_length_b                   10.576
_cell_length_c                   10.576
_cell_volume                     1182.944
_exptl_crystal_density_diffrn    5.111
_cod_original_cell_volume        1182.945
_cod_original_formula_sum        'Ag3.54 Cu6.3 Zn1.44 Fe.72 Sb4 S13'
_cod_database_code               9012609
loop_
_symmetry_equiv_pos_as_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
AgM2 0.21260 0.00000 0.00000 0.59000 0.06155
CuM2 0.21260 0.00000 0.00000 0.41000 0.06155
CuM1 0.25000 0.50000 0.00000 0.64000 0.02989
ZnM1 0.25000 0.50000 0.00000 0.24000 0.02989
FeM1 0.25000 0.50000 0.00000 0.12000 0.02989
Sb 0.26870 0.26870 0.26870 1.00000 0.01849
S1 0.12100 0.12100 0.36610 1.00000 0.01596
S2 0.00000 0.00000 0.00000 1.00000 0.10765