#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009932.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_9009932
loop_
_publ_author_name
'Hellner E'
'Burzlaff H'
_publ_section_title
;
 Die struktur des smithits AgAsS2
 Locality: Legenbach quarry, Binnatal, Switzerland
;
_journal_name_full               Naturwissenschaften
_journal_page_first              35
_journal_page_last               36
_journal_volume                  51
_journal_year                    1964
_chemical_formula_sum            'Ag As S2'
_chemical_name_mineral           Smithite
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.20
_cell_angle_gamma                90
_cell_length_a                   17.23
_cell_length_b                   7.78
_cell_length_c                   15.19
_cell_volume                     1997.431
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag1 0.09080 0.11950 0.35610 0.03952
Ag2 0.41890 0.62010 0.43250 0.04914
Ag3 0.25000 0.38770 0.50000 0.04281
Ag4 0.25000 0.87400 0.50000 0.03926
As1 0.26610 0.36360 0.25300 0.01292
As2 0.42160 0.12310 0.17280 0.01317
As3 0.41430 0.12430 0.40790 0.01343
S1 0.10130 0.91150 0.49850 0.01900
S2 0.08630 0.41410 0.42990 0.01773
S3 0.22080 0.67360 0.12670 0.01646
S4 0.28600 0.16450 0.14270 0.01646
S5 0.38750 0.46840 0.28330 0.02026
S6 0.07250 0.44500 0.20720 0.01646
_cod_database_code 9009932