#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/12/1011214.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_1011214
loop_
_publ_author_name
'Hocart, R'
_publ_section_title
;
Schema structural de la proustite et de la pyrargyrite.
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              68
_journal_page_last               70
_journal_volume                  205
_journal_year                    1937
_chemical_compound_source        'from Freiberg, Saxony'
_chemical_formula_structural     'Ag3 (Sb S3)'
_chemical_formula_sum            'Ag3 S3 Sb'
_chemical_name_mineral           Pyrargyrite
_chemical_name_systematic        'Silver trithioantimonate(III)'
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3* -2n'
_symmetry_space_group_name_H-M   'R 3 c :R'
_cell_angle_alpha                103.97
_cell_angle_beta                 103.97
_cell_angle_gamma                103.97
_cell_formula_units_Z            2
_cell_length_a                   7.
_cell_length_b                   7.
_cell_length_c                   7.
_cell_volume                     306.2
_exptl_crystal_density_meas      5.85
_cod_original_sg_symbol_H-M      'R 3 c R'
_cod_database_code               1011214
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+y,1/2+x,1/2+z
y,z,x
1/2+x,1/2+z,1/2+y
z,x,y
1/2+z,1/2+y,1/2+x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sb1 Sb3+ 2 a 0.0917 0.0917 0.0917 1. 0 d
Ag1 Ag1+ 6 b 0.633 0.5 0. 1. 0 d
S1 S2- 6 b 0.795 0.205 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sb3+ 3.000
Ag1+ 1.000
S2- -2.000
