#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/94/1509401.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_1509401
loop_
_publ_author_name
'Klingler, W.'
'Meyer, A.D.'
'Hahn, H.'
'Frank, G.'
'Stoerger, G.'
_publ_section_title
;
 Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              153
_journal_page_last               170
_journal_paper_doi               10.1002/zaac.19532710307
_journal_volume                  271
_journal_year                    1953
_chemical_formula_sum            'Ag In S2'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.12
_cell_length_b                   4.12
_cell_length_c                   6.67
_cell_volume                     98.051
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver1-2_342.cif
_cod_data_source_block           Ag1In1S2
_cod_original_cell_volume        98.05074
_cod_original_formula_sum        'Ag1 In1 S2'
_cod_database_code               1509401
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
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 0.3333 0.6667 0 0.5 0.0
In1 In+3 0.3333 0.6667 0 0.5 0.0
S1 S-2 0.3333 0.6667 0.375 1 0.0
