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#$Date: 2016-01-01 13:46:08 +0100 (vie 01 de ene de 2016) $
#$Revision: 172421 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/11/1541166.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_1541166
loop_
_publ_author_name
'Ribes, M.'
'Maurin, M.'
'Philippot, E.'
'Olivier-Fourcade, J.'
_publ_section_title
;
 Etude structurale de thiocomposes a groupement anionique de type tetrane
 Na4 X4 S10 (X= Ge, Si) et Ba2 Ge4 S10
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              195
_journal_page_last               205
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'Na4 S10 Si4'
_chemical_name_systematic        'Na4 Si4 S10'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.681
_cell_length_b                   12.72
_cell_length_c                   10.346
_cell_volume                     1668.834
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ribes_JSSCBI_1973_1771.cif
_cod_data_source_block           Na4S10Si4
_cod_database_code               1541166
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Na2 Na+1 0.3375 0.2451 0.25 1 0.0
Si1 Si+4 0 0.2522 0.0832 1 0.0
S5 S-2 0.2655 0.5386 0.25 1 0.0
S1 S-2 0 0.5477 0.25 1 0.0
Si2 Si+4 0.1346 0.4475 0.25 1 0.0
S2 S-2 0.1389 0.3492 0.0795 1 0.0
S3 S-2 0 0.154 0.25 1 0.0
S4 S-2 0 0.1579 -0.0772 1 0.0
Na1 Na+1 0.1527 0 0 1 0.0
