#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001677.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_9001677
_chemical_name 'Gillulyite'
loop_
_publ_author_name
'Foit F F'
'Robinson P D'
'Wilson J R'
_journal_name_full "American Mineralogist"
_journal_volume 80
_journal_year 1995
_journal_page_first 394
_journal_page_last 399
_publ_section_title
;
 The crystal structure of gillulyite, Tl2(As,Sb)8S13, from the Mercur gold
 deposit, Tooele County, Utah, U.S.A
;
_chemical_formula_sum 'Tl As3.89 Sb.11 S6.5'
_cell_length_a 9.584
_cell_length_b 5.679
_cell_length_c 21.501
_cell_angle_alpha 90
_cell_angle_beta 100.07
_cell_angle_gamma 90
_cell_volume 1152.219
_symmetry_space_group_name_H-M 'P 1 2/n 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,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
_atom_site_occupancy
Tl1   0.81020   0.94830   0.14880   0.50000
Tl2   0.18950   0.88290   0.25890   0.50000
As1   0.47320   0.44720   0.08830   1.00000
As2   0.25870   0.90090   0.02050   1.00000
As3   0.09650   0.44760   0.08830   1.00000
As4   0.80770   0.21070   0.14460   0.43000
Sb1   0.80770   0.21070   0.14460   0.07000
As5   0.80870   0.66170   0.14680   0.46000
Sb2   0.80870   0.66170   0.14680   0.04000
S1   0.31050   0.38800   0.15430   1.00000
S2   0.64520   0.43700   0.18130   1.00000
S3   0.47080   0.85000   0.08760   1.00000
S4   0.24350   0.54300  -0.01910   1.00000
S5   0.09800   0.85200   0.08790   1.00000
S6   0.99800   0.43400   0.18110   1.00000
S7   0.84400   0.94100   0.22540   0.50000