
#(C) 2017 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_173999-ICSD
_database_code_ICSD 173999
_audit_creation_date 2010-02-01
_chemical_name_systematic 'Silver(I) sulfide'
_chemical_formula_structural 'Ag2 S'
_chemical_formula_sum 'Ag2 S1'
_chemical_name_structure_type Ag2S-LT
_chemical_name_mineral Acanthite
_exptl_crystal_density_diffrn 7.26
_publ_section_title
'The crystal structure, polymorphism and twinning of acanthite (Ag2 S)'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica (1,1948-23,1967)' 1957 10 764 764 ACCRA9
loop_
_publ_author_name
'Frueh, A.J.jr.'
_cell_length_a 4.23
_cell_length_b 6.91
_cell_length_c 7.87
_cell_angle_alpha 90
_cell_angle_beta 99.58
_cell_angle_gamma 90
_cell_volume 226.83
_cell_formula_units_Z 4
_symmetry_space_group_name_H-M 'P 1 21/n 1'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x+1/2, y+1/2, -z+1/2'
2 '-x, -y, -z'
3 'x+1/2, -y+1/2, z+1/2'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ag1+ 1
S2- -2
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_B_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
Ag1 Ag1+ 4 e 0.733 0.018 0.305 . 1. 0
Ag2 Ag1+ 4 e 0.285 0.317 0.432 . 1. 0
S1 S2- 4 e 0.333 0.233 0.133 . 1. 0
#End of TTdata_173999-ICSD