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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/06/9010619.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_9010619
loop_
_publ_author_name
'Bindi, L.'
'Evain, M.'
'Menchetti, S.'
_publ_section_title
;Complex twinning, polytypism and disorder phenomena in the crystal structures
 of antimonpearceite and arsenpolybasite Locality: Eagle mine, Colorado, USA
 Sample: T = 330 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              321
_journal_page_last               333
_journal_paper_doi               10.2113/gscanmin.45.2.321
_journal_volume                  45
_journal_year                    2007
_chemical_compound_source        'Eagle mine, Colorado, USA'
_chemical_formula_sum            'Ag12.96 As0.154 Cu3.04 S11 Sb1.846'
_chemical_name_mineral           Antimonpearceite
_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                   7.4805
_cell_length_b                   7.4805
_cell_length_c                   11.8836
_cell_formula_units_Z            1
_cell_volume                     575.890
_database_code_amcsd             0006140
_diffrn_ambient_temperature      330
_exptl_crystal_density_diffrn    6.286
_cod_original_cell_volume        575.891
_cod_original_formula_sum        'Ag12.96 Cu3.04 (Sb1.846 As.154) S11'
_cod_database_code               9010619
loop_
_space_group_symop_operation_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 0.14879 0.29760 0.38289 0.66000 0.05840
Cu1 0.14879 0.29760 0.38289 0.34000 0.05840
Ag2 0.19600 0.36510 0.12060 0.41100 0.46100
Ag3 0.37400 0.27920 0.11680 0.33900 0.12000
Cu2 0.00000 0.00000 0.00000 1.00000 0.03140
Sb 0.66667 0.33333 0.41180 0.92300 0.02462
As 0.66667 0.33333 0.41180 0.07700 0.02462
S1 0.00000 0.00000 0.18171 1.00000 0.02880
S2 0.50432 0.00864 0.31065 1.00000 0.03010
S3 0.33333 0.66667 0.01530 1.00000 0.04480
S4 0.00000 0.07980 0.50000 0.16667 0.03340
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006140
