#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532618.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_1532618
loop_
_publ_author_name
'Coste, S.'
'Kanatzidis, M.G.'
'Hanko, J.'
'Bujoli-Doeuff, M.'
'Evain, M.'
'Louarn, G.'
'Jobic, S.'
'Brec, R.'
'Alonso, B.'
_publ_section_title
;
 Na Pd P S4 and Rb Pd P S4: systems with infinite straight (1 infty)(Pd P
 S4)(-) chains soluble in polar solvents and the structure of cubic Rb Pd
 P S4 (Rb0.33 P0.4 S2.23 Ox)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              133
_journal_page_last               145
_journal_volume                  175
_journal_year                    2003
_chemical_formula_sum            'Na P Pd S4'
_chemical_name_systematic        'Na Pd (P S4)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3074
_cell_length_b                   7.3074
_cell_length_c                   12.2308
_cell_volume                     653.101
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Coste_JSSCBI_2003_162.cif
_cod_data_source_block           Na1P1Pd1S4
_cod_original_cell_volume        653.1014
_cod_original_formula_sum        'Na1 P1 Pd1 S4'
_cod_database_code               1532618
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
S1 S-2 0.34962 0.15038 0.14138 1 0.0
Pd1 Pd+2 0.5 0 0 1 0.0
P1 P+5 0.5 0 0.25 1 0.0
Na1 Na+1 0 0 0.25 1 0.0
