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#$Date: 2015-09-04 16:34:48 +0200 (vie 04 de sep de 2015) $
#$Revision: 153945 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529513.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_1529513
loop_
_publ_author_name
'Abou Ghaloun, O.'
'Chevalier, P.'
'Trichet, L.'
'Rouxel, J.'
_publ_section_title
;
 Structural, electrical, magnetic and NMR study of the Nax Crx Ti(1-x) S2
 system
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              231
_journal_page_last               235
_journal_volume                  2
_journal_year                    1981
_chemical_formula_sum            'Cr0.9 Na0.9 S2 Ti0.1'
_chemical_name_systematic        'Na0.9 Cr0.9 Ti0.1 S2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.558
_cell_length_b                   3.558
_cell_length_c                   19.51
_cell_volume                     213.895
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            AbouGhaloun_SSIOD3_1981_668.cif
_cod_data_source_block           Cr0.9Na0.9S2Ti0.1
_cod_original_cell_volume        213.8946
_cod_database_code               1529513
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
S1 S-2 0 0 0.258 1 0.0
Cr1 Cr+3 0 0 0 0.9 0.0
Na1 Na+1 0 0 0.5 0.9 0.0
Ti1 Ti+4 0 0 0 0.1 0.0
