#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004119.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9004119
loop_
_publ_author_name
'Makovicky E'
'Mumme W G'
'Watts J A'
_publ_section_title
;
 The crystal structure of synthetic pavonite, AgBi3S5, and
 the definition of the pavonite homologous series
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              339
_journal_page_last               348
_journal_volume                  15
_journal_year                    1977
_chemical_formula_sum            'Ag Bi3 S5'
_[local]_cod_chemical_formula_sum_orig 'Bi3 Ag S5'
_chemical_name_mineral           Pavonite
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.02
_cell_angle_gamma                90
_cell_length_a                   13.305
_cell_length_b                   4.042
_cell_length_c                   16.417
_cell_volume                     880.714
loop_
_symmetry_equiv_pos_as_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_U_iso_or_equiv
Bi1 0.23690 0.50000 0.11100 0.02343
Bi2 0.47220 0.00000 0.21690 0.02622
Bi3 0.21920 0.00000 0.38910 0.02748
Ag1 0.00000 0.00000 0.00000 0.03179
Ag2 0.00000 0.50000 0.50000 0.03078
S1 0.36880 0.00000 0.05340 0.01520
S2 0.09790 0.00000 0.14790 0.02786
S3 0.33860 0.50000 0.26120 0.01254
S4 0.07720 0.50000 0.36030 0.01748
S5 0.34390 0.50000 0.46640 0.01900
_cod_database_code 9004119