#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/54/9015410.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_9015410
loop_
_publ_author_name
'Makovicky, E.'
'Paar, W. H.'
'Putz, H.'
'Zagler, G.'
_publ_section_title
;
 Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous
 series, from Erzwies, Austria
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              467
_journal_page_last               481
_journal_paper_doi               10.3749/canmin.48.3.467
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Erzwies, Austria'
_chemical_formula_sum            'Ag1.05 Bi7.64 Cu0.56 S11'
_chemical_name_mineral           Dantopaite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.494
_cell_angle_gamma                90
_cell_length_a                   13.380
_cell_length_b                   4.0492
_cell_length_c                   18.690
_cell_formula_units_Z            2
_cell_volume                     975.793
_database_code_amcsd             0006280
_exptl_crystal_density_diffrn    7.141
_cod_original_formula_sum        'Bi7.64 Ag1.05 Cu.56 S11'
_cod_database_code               9015410
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-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 0.85430 0.00000 0.35128 1.00000 0.01850
Bi2 0.61510 0.00000 0.44890 0.82000 0.02300
Ag2 0.61600 0.00000 0.46400 0.18000 0.02300
Bi3 0.09500 0.00000 0.25368 1.00000 0.01800
Bi4 0.30660 0.00000 0.10002 1.00000 0.02430
Ag1 0.00000 0.00000 0.00000 0.69000 0.04200
Cu1 0.00000 0.16000 0.00000 0.08000 0.00800
Cu2 0.49600 0.00000 0.07100 0.20000 0.11500
S1 0.66060 0.00000 0.03220 1.00000 0.01300
S2 0.24690 0.00000 0.40880 1.00000 0.02000
S3 0.71630 0.00000 0.21870 1.00000 0.01400
S4 0.00000 0.00000 0.50000 1.00000 0.03000
S5 0.47770 0.00000 0.31080 1.00000 0.02300
S6 0.95910 0.00000 0.12300 1.00000 0.01600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006280
