#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/95/1509581.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_1509581
loop_
_publ_author_name
'Arzani, R.'
'Memo, A.'
'Elitok, E.'
'Haeuseler, H.'
_publ_section_title
;
 Verbindungen mit Schichtstrukturen in den Systemen (Cu Ga5 S8)/ (Cu In5
 S8) und (Ag Ga5 S8)/(Ag In5 S8)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1204
_journal_page_last               1208
_journal_paper_doi
10.1002/1521-3749(200106)627:6<1204::AID-ZAAC1204>3.0.CO;2-V
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ag1.12 Ga2.68 In3.7 S10'
_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                   3.833
_cell_length_b                   3.833
_cell_length_c                   30.953
_cell_volume                     393.832
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver1-2_581.cif
_cod_data_source_block           Ag1.12Ga2.68In3.7S10
_cod_database_code               1509581
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
In1 In+2 0 0 0.1935 1 0.0
Ga1 Ga+3 0.3333 0.6667 0.9132 0.44 0.0
S5 S-2 0.3333 0.6667 0.4442 1 0.0
S4 S-2 0.3333 0.6667 0.8368 1 0.0
S2 S-2 0.3333 0.6667 0.6471 1 0.0
In2 In+3 0.3333 0.6667 0.5693 0.49 0.0
Ga2 Ga+3 0.3333 0.6667 0.5693 0.51 0.0
S3 S-2 0.3333 0.6667 0.2377 1 0.0
Ga3 Ga+3 0.3333 0.6667 0.3149 0.39 0.0
Ag1 Ag+1 0.3333 0.6667 0.9132 0.56 0.0
In3 In+3 0.3333 0.6667 0.3149 0.36 0.0
S1 S-2 0.3333 0.6667 0.0426 1 0.0
