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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/38/9013821.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_9013821
loop_
_publ_author_name
'Topa, D.'
'Makovicky, E.'
'Putz, H.'
_publ_section_title
;
 The crystal structure of angelaite, Cu2AgPbBiS4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              145
_journal_page_last               153
_journal_paper_doi               10.3749/canmin.48.1.145
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source
'Angela mine, Los Manantiales district, Chubut province, Argentina'
_chemical_formula_sum            'Ag Bi Cu1.98 Pb S4'
_chemical_name_mineral           Angelaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.734
_cell_length_b                   4.032
_cell_length_c                   14.633
_cell_formula_units_Z            4
_cell_volume                     751.309
_database_code_amcsd             0006325
_exptl_crystal_density_diffrn    6.879
_cod_original_formula_sum        'Bi Pb Ag Cu1.98 S4'
_cod_database_code               9013821
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-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
Bi 0.06739 0.25000 0.39411 1.00000 0.01700
Pb 0.21930 0.25000 0.66660 1.00000 0.02940
Ag 0.18320 0.25000 -0.07510 1.00000 0.03880
Cu1 0.45100 0.25000 0.33820 1.00000 0.05400
Cu2a -0.02740 0.25000 -0.02090 0.67000 0.07400
Cu2b -0.06200 0.25000 -0.13000 0.31000 0.04200
S1 0.37180 0.25000 0.03170 1.00000 0.01800
S2 0.27980 0.25000 0.31280 1.00000 0.01700
S3 0.10410 0.25000 0.08510 1.00000 0.02000
S4 -0.00480 0.25000 0.71980 1.00000 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006325
