#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107121.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107121
loop_
_publ_author_name
'Perenthaler, E.'
'Beyeler, H.U.'
'Schulz, H.'
_publ_section_title
;
 Structures and phase transition of beta- and gamma-Ag3 I S
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1017
_journal_page_last               1023
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Ag3 I S'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.882
_cell_length_b                   4.882
_cell_length_c                   4.882
_cell_volume                     116.357
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Perenthaler_ACBCAR_1981_1338.cif
_cod_data_source_block           Ag3I1S1
_cod_original_cell_volume        116.3572
_cod_original_sg_symbol_Hall     'R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Ag3 I1 S1'
_cod_database_code               2107121
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
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
Ag1 Ag+1 0.515 0.399 0.016 1 0.0
I1 I-1 0 0 0 1 0.0
S1 S-2 0.536 0.536 0.536 1 0.0
