#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/93/1509374.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_1509374
loop_
_publ_author_name
'Keller, H.L.'
'Beck, J.'
'Ewald, B.'
'Wimbert, L.'
'Rompel, M.'
_publ_section_title
;
 Ueber Muenzmetall-Quecksilber-Chalkogenidhalogenide. V.
 Solvothermalsynthese und Kristallstruktur der Hochdruckmodifikation von
 Ag Hg S I
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1031
_journal_page_last               1035
_journal_paper_doi               10.1002/zaac.200400083
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Ag Hg I S'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0747
_cell_length_b                   7.7318
_cell_length_c                   8.4753
_cell_volume                     463.600
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver1-2_299.cif
_cod_data_source_block           Ag1Hg1I1S1
_cod_original_cell_volume        463.6003
_cod_original_formula_sum        'Ag1 Hg1 I1 S1'
_cod_database_code               1509374
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
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
I1 I-1 0.99488 0.38662 0.64986 1 0.0
S1 S-2 0.9988 0.3587 0.1524 1 0.0
Ag1 Ag+1 0.9068 0.173 0.4015 1 0.0
Hg1 Hg+2 0.25048 0.23446 0.0111 1 0.0
