#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012610.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_9012610
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: 4
;
_journal_name_full               'Mineralogiceskij Zhurnal'
_journal_page_first              9
_journal_page_last               17
_journal_volume                  15
_journal_year                    1993
_chemical_formula_sum            'Ag6 Cu4.2 Fe1.2 S12.01 Sb4 Zn0.6'
_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                   10.492
_cell_length_b                   10.492
_cell_length_c                   10.492
_cell_volume                     1154.981
_exptl_crystal_density_diffrn    5.442
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_12932'
_[local]_cod_chemical_formula_sum_orig 'Ag6 (Cu4.2 Zn.6 Fe1.2) Sb4 S12.01'
_cod_database_code               9012610
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 0.19190 0.00000 0.00000 1.00000 0.02736
CuM1 0.25000 0.50000 0.00000 0.70000 0.01722
ZnM1 0.25000 0.50000 0.00000 0.10000 0.01722
FeM1 0.25000 0.50000 0.00000 0.20000 0.01722
Sb 0.27000 0.27000 0.27000 1.00000 0.01115
S1 0.12020 0.12020 0.36540 1.00000 0.01140
S2 0.00000 0.00000 0.00000 0.01000 0.04813