#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/48/9014842.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_9014842
loop_
_publ_author_name
'Topa, D.'
'Makovicky, E.'
_publ_section_title
;
 The crystal chemistry of cosalite based on new electron-microprobe data and
 single-crystal determination of the structure
 Note: Sample 5
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1081
_journal_page_last               1107
_journal_paper_doi               10.3749/canmin.48.5.1081
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source
'Erzwiess, Hobe Tauern Window, Gasteinertal, Austria'
_chemical_formula_sum            'Ag0.308 Bi4 Cu0.358 Pb3.643 S10'
_chemical_name_mineral           Cosalite
_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                   23.846
_cell_length_b                   4.0559
_cell_length_c                   19.066
_cell_formula_units_Z            4
_cell_volume                     1844.006
_database_code_amcsd             0017820
_exptl_crystal_density_diffrn    7.087
_cod_original_formula_sum        'Bi4 Pb3.643 Ag.308 Cu.358 S10'
_cod_database_code               9014842
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
Bi1 0.15453 0.75000 0.98219 1.00000 0.01440
Bi2 0.30367 0.75000 0.09249 1.00000 0.01610
PbMe3 0.01079 0.25000 0.09038 1.00000 0.01790
Bi4 0.17164 0.25000 0.18539 1.00000 0.01540
PbMe1 0.04031 0.75000 0.27519 0.64300 0.01950
BiMe1 0.04031 0.75000 0.27519 0.30100 0.01950
Ag1 0.04800 0.75000 0.26400 0.05600 0.01950
BiMe2 0.43582 0.25000 0.03430 0.69900 0.02660
Pb3 0.20579 0.75000 0.38330 1.00000 0.02700
Pb4 0.37240 0.75000 0.29210 1.00000 0.02650
Ag2 0.41600 0.25000 0.97260 0.25200 0.04300
Cu2 0.45030 0.25000 0.11410 0.35800 0.04600
S1 0.13830 0.25000 0.47650 1.00000 0.01870
S2 0.22920 0.25000 0.02920 1.00000 0.01780
S3 0.99880 0.75000 0.40990 1.00000 0.02760
S4 0.36330 0.25000 0.15310 1.00000 0.01920
S5 0.46550 0.25000 0.28070 1.00000 0.01840
S6 0.23780 0.75000 0.22810 1.00000 0.01550
S7 0.08830 0.75000 0.12850 1.00000 0.01710
S8 0.12360 0.25000 0.30660 1.00000 0.01720
S9 0.29610 0.25000 0.36060 1.00000 0.01470
S10 0.41650 0.75000 0.43350 1.00000 0.01680
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017820
