#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/99/1509942.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_1509942
loop_
_publ_author_name
'Gulay, L.D.'
'Parasyuk, O.V.'
'Olekseyuk, I.D.'
_publ_section_title
;
 Crystal structures of the Cu6 Hg0.973 Si S5.973 and Ag6 Hg0.897 Si S5.897
 compounds
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              111
_journal_page_last               114
_journal_paper_doi               10.1016/S0925-8388(01)01807-2
_journal_volume                  335
_journal_year                    2002
_chemical_formula_sum            'Ag6 Hg0.897 S5.897 Si'
_chemical_name_systematic        'Ag6 Hg0.897 Si S5.897'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5055
_cell_length_b                   10.5055
_cell_length_c                   10.5055
_cell_volume                     1159.445
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            silver3-x_236.cif
_cod_data_source_block           Ag6Hg0.897S5.897Si1
_cod_original_formula_sum        'Ag6 Hg0.897 S5.897 Si1'
_cod_database_code               1509942
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 Si+4 0.994 0.994 0.994 1 0.0
Hg1 Hg+2 0.6171 0.6171 0.6171 0.897 0.0
S4 S-2 0.385 0.1 0.386 1 0.0
S3 S-2 0.743 0.743 0.743 0.897 0.0
S1 S-2 0.488 0.488 0.488 1 0.0
Ag1 Ag+1 0.2458 0.4807 0.752 1 0.0
Ag2 Ag+1 0.6625 0.1764 0.0105 1 0.0
S2 S-2 0.115 0.115 0.115 1 0.0
