#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/41/9004100.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_9004100
loop_
_publ_author_name
'Scott, J. D.'
_publ_section_title
;
 Refinement of the crystal structure of dyscrasite, and its implications
 for the structure of allargentum
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              139
_journal_page_last               142
_journal_volume                  14
_journal_year                    1976
_chemical_formula_sum            'Ag3 Sb'
_chemical_name_mineral           Dyscrasite
_space_group_IT_number           25
_symmetry_space_group_name_Hall  'P 2 -2'
_symmetry_space_group_name_H-M   'P m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.008
_cell_length_b                   4.828
_cell_length_c                   5.214
_cell_volume                     75.721
_exptl_crystal_density_diffrn    9.766
_[local]_cod_chemical_formula_sum_orig 'Sb Ag3'
_cod_database_code               9004100
_amcsd_database_code             AMCSD#0005081
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
-x,y,z
-x,-y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sb 0.01728 0.01039 0.01363 0.00000 0.00000 0.00000
Ag1 0.03832 0.03247 0.00372 0.00000 0.00000 0.00000
Ag2 0.00770 0.01724 0.01157 0.00000 0.00000 0.00000
Ag3 0.04171 0.00744 0.01584 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb 0.00000 0.00000 -0.02488
Ag1 0.50000 0.00000 0.50000
Ag2 0.00000 0.50000 0.64808
Ag3 0.50000 0.50000 0.16016