#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/50/1535044.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_1535044
loop_
_publ_author_name
'Hartenbach, I.'
'Schleid, T.'
_publ_section_title
;
 Na Y3 S3 (Si S4): a sodium-containing yttrium sulfide thiosilicate with
 channel structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              382
_journal_page_last               386
_journal_volume                  171
_journal_year                    2003
_chemical_formula_sum            'Na S7 Si Y3'
_chemical_name_systematic        'Na Y3 S3 (Si S4)'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.7657
_cell_length_b                   9.7657
_cell_length_c                   5.7061
_cell_volume                     471.278
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Hartenbach_JSSCBI_2003_619.cif
_cod_data_source_block           Na1S7Si1Y3
_cod_original_cell_volume        471.2776
_cod_original_formula_sum        'Na1 S7 Si1 Y3'
_cod_database_code               1535044
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
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
Si1 Si+4 0.3333 0.6667 0.1656 1 0.0
S3 S-2 0.2502 0.09387 0.787 1 0.0
Na1 Na+1 0 0 0.051 1 0.0
S1 S-2 0.3333 0.6667 0.5346 1 0.0
S2 S-2 0.52304 0.41873 0.5184 1 0.0
Y1 Y+3 0.35846 0.13271 0.25 1 0.0
