#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001566.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_9001566
loop_
_publ_author_name
'Wilson J R'
'Sen Gupta P K'
'Robinson P D'
'Criddle A J'
_publ_section_title
;
 Fangite, Tl3AsS4, a new thallium arsenic sulfosalt from the Mercur Au deposit,
 Utah, and revised optical data for gillulyite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1096
_journal_page_last               1103
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'As S4 Tl3'
_[local]_cod_chemical_formula_sum_orig 'Tl3 As S4'
_chemical_name_mineral           Fangite
_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                   8.894
_cell_length_b                   10.855
_cell_length_c                   9.079
_cell_volume                     876.526
loop_
_symmetry_equiv_pos_as_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
Tl1 0.06120 0.04940 0.19580
Tl2 0.38370 0.25000 -0.10940
As 0.28070 0.25000 0.47440
S1 0.30600 0.25000 0.23380
S2 0.00400 0.25000 0.93200
S3 0.15570 0.08690 0.53540
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
Tl1 0.03310 0.02360 0.03140 0.00210 -0.00050 -0.00280
Tl2 0.02490 0.06400 0.02800 0.00000 0.00200 0.00000
As 0.01500 0.02000 0.01400 0.00000 0.00000 0.00000
S1 0.02100 0.03300 0.00600 0.00000 -0.00100 0.00000
S2 0.02000 0.03200 0.02400 0.00000 0.00500 0.00000
S3 0.02800 0.02400 0.03500 -0.00800 0.00200 0.00600