#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/47/9004700.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_9004700
loop_
_publ_author_name
'Karanovic, L.'
'Poleti, D.'
'Makovicky, E.'
'Balic-Zunic T'
'Makovicky, M.'
_publ_section_title
;
 The crystal structure of synthetic kutinaite, Cu14Ag6As7
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1437
_journal_page_last               1449
_journal_paper_doi               10.2113/gscanmin.40.5.1437
_journal_volume                  40
_journal_year                    2002
_chemical_formula_sum            'Ag6 As7 Cu14.08'
_chemical_name_mineral           Kutinaite
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.78079
_cell_length_b                   11.78079
_cell_length_c                   11.78079
_cell_formula_units_Z            4
_cell_volume                     1635.021
_database_code_amcsd             0005793
_exptl_crystal_density_diffrn    8.395
_cod_database_code               9004700
loop_
_space_group_symop_operation_xyz
x,y,z
z,-x,y
-y,z,-x
x,-y,z
-z,x,-y
y,-z,x
-x,y,-z
x,-z,-y
-z,y,x
y,-x,-z
-x,z,y
z,-y,-x
-y,x,z
x,z,y
-z,-y,-x
y,x,z
-x,-z,-y
z,y,x
-y,-x,-z
z,x,-y
-y,-z,x
x,y,-z
-z,-x,y
y,z,-x
-x,-y,z
-z,x,y
y,-z,-x
-x,y,z
z,-x,-y
-y,z,x
x,-y,-z
-x,z,-y
z,-y,x
-y,x,-z
x,-z,y
-z,y,-x
y,-x,z
-x,-z,y
z,y,-x
-y,-x,z
x,z,-y
-z,-y,x
y,x,-z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-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
Ag1 0.32300 0.50000 0.00000 1.00000 0.03166
Ag2 0.17800 0.00000 0.00000 1.00000 0.02280
Ag3 0.18700 0.50000 0.50000 1.00000 0.03293
As1 0.50000 0.25000 0.25000 1.00000 0.02406
As2 0.00000 0.24800 0.24800 1.00000 0.02533
As3 0.50000 0.00000 0.00000 1.00000 0.01267
As4 0.50000 0.50000 0.50000 1.00000 0.03800
Cu1 0.33100 0.33100 0.16550 0.84000 0.02913
Cu2 0.12300 0.12300 0.38300 1.00000 0.02406
Cu3 0.38200 0.38200 0.38200 1.00000 0.03800
Cu4 0.16700 0.16700 0.16700 0.52000 0.02913
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005793
