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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/99/1509988.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_1509988
loop_
_publ_author_name
'Sato, A.'
'Ishii, M.'
'Adams, S.'
'Tansho, M.'
'Wada, H.'
'Onoda, M.'
_publ_section_title
;
 Phase transition and crystal structure of silver-ion conductor Ag12-n
 M(+n) S6 (M = Ti, Nb, Na)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              723
_journal_page_last               727
_journal_volume                  154
_journal_year                    2002
_chemical_formula_sum            'Ag8 S6 Ti'
_chemical_name_systematic        'Ag8 Ti S6'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.095
_cell_length_b                   7.462
_cell_length_c                   10.641
_cell_volume                     1198.590
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            silver3-x_295.cif
_cod_data_source_block           Ag8S6Ti1
_cod_original_cell_volume        1198.59
_cod_original_formula_sum        'Ag8 S6 Ti1'
_cod_database_code               1509988
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,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
Ag7 Ag+1 0.4419 0.773 0.023 1 0.0
S4 S-2 0.479 0.283 0.132 1 0.0
S1 S-2 0.373 0.734 0.241 1 0.0
S5 S-2 0.369 0.55 -0.083 1 0.0
Ag5 Ag+1 0.274 0.004 0.3 1 0.0
Ag2 Ag+1 0.479 0.985 0.27 1 0.0
Ti1 Ti+4 0.361 0.256 0.012 1 0.0
Ag6 Ag+1 0.073 0.892 0.201 1 0.0
S2 S-2 0.123 0.693 -0.015 1 0.0
S3 S-2 0.266 0.275 0.169 1 0.0
Ag8 Ag+1 0.2339 0.935 0.005 1 0.0
S6 S-2 0.38 -0.013 0.871 1 0.0
Ag3 Ag+1 0.2324 0.629 0.193 1 0.0
Ag4 Ag+1 0.42 0.432 0.352 1 0.0
Ag1 Ag+1 0.1219 0.288 0 1 0.0
