#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009861.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_9009861
loop_
_publ_author_name
'Sommer H'
'Hoppe R'
'Jansen M'
_publ_section_title
;
 Das erste thiomercurat(II) mit inselstruktur: K6(HgS4)
;
_journal_name_full               'Die Naturwissenschaften'
_journal_page_first              194
_journal_page_last               195
_journal_volume                  63
_journal_year                    1976
_chemical_formula_sum            'Hg K6 S4'
_[local]_cod_chemical_formula_sum_orig 'K6 Hg S4'
_chemical_name_mineral           K6HgS4
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.98
_cell_length_b                   9.98
_cell_length_c                   7.64
_cell_volume                     658.999
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 0.14700 0.29400 0.79700
K2 0.52800 0.05600 0.62500
Hg 0.33333 0.66667 0.50100
S1 0.33333 0.66667 0.83300
S2 0.80900 0.61800 0.89600
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
K1 0.04840 0.04840 0.04840 0.04870 0.00000 0.00000
K2 0.02960 0.02960 0.02960 0.00660 0.00000 0.00000
Hg 0.01760 0.01760 0.01760 0.00880 0.00000 0.00000
S1 0.01060 0.01060 0.01070 0.00530 0.00000 0.00000
S2 0.01540 0.01540 0.01540 0.00720 0.00000 0.00000
_cod_database_code 9009861