#------------------------------------------------------------------------------
#$Date: 2010-06-10 19:56:54 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1214 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9013992.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_9013992
loop_
_publ_author_name
'Bindi, L.'
'Pekov, I. V.'
_publ_section_title
;
 Crystal chemistry of extremely Cu-rich cupropearceite
 from the Sarbay mine, Northern Kazakhstan
 Location: Sarbay mine, Northern Kazakhstan
;
_journal_name_full
'Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva'
_journal_page_first              44
_journal_page_last               50
_journal_volume                  138
_journal_year                    2009
_chemical_formula_sum            'Ag10.332 As1.602 Cu5.668 S11 Sb0.398'
_chemical_name_mineral           Cupropearceite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.2567
_cell_length_b                   7.2567
_cell_length_c                   11.8193
_cell_volume                     539.015
_exptl_crystal_density_diffrn    6.149
_[local]_cod_chemical_formula_sum_orig 'Ag10.332 Cu5.668 (As1.602 Sb.398) S11'
_cod_database_code               9013992
_amcsd_database_code             AMCSD#0013688
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-y,-z
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
Ag1 0.31106 0.15553 0.38548 0.22200 0.03210
Cu1 0.31106 0.15553 0.38548 0.77800 0.03210
Ag2 0.36020 0.16100 0.12410 0.35000 0.10800
Ag3 0.29920 -0.08450 0.11900 0.40000 0.10500
As 0.33333 0.66667 0.40680 0.80100 0.02150
Sb 0.33333 0.66667 0.40680 0.19900 0.02150
Cu2 0.00000 0.00000 0.00000 1.00000 0.03080
S1 0.00000 0.00000 0.18250 1.00000 0.03450
S2 0.01672 0.50836 0.31338 1.00000 0.02880
S3 0.66667 0.33333 0.02000 1.00000 0.03590
S4 0.00000 0.00000 0.50000 1.00000 0.09800