#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/30/1533013.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_1533013
loop_
_publ_author_name
'Pompetzki, M.'
'Jansen, M.'
_publ_section_title
;
 Natriumtrithiophosphat(V): Kristallstruktur und
 Natriumionenleitfaehigkeit
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1929
_journal_page_last               1933
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Na3 O P S3'
_chemical_name_systematic        'Na3 (P O S3)'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5105
_cell_length_b                   11.5463
_cell_length_c                   5.9323
_cell_volume                     651.432
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Pompetzki_ZAACAB_2003_1085.cif
_cod_data_source_block           Na3O1P1S3
_cod_original_cell_volume        651.4323
_cod_original_formula_sum        'Na3 O1 P1 S3'
_cod_database_code               1533013
loop_
_symmetry_equiv_pos_as_xyz
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
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
O1 O-2 0.5 0.303 0.6114 1 0.0
S2 S-2 0.5 0.1191 0.2721 1 0.0
Na1 Na+1 0.1992 0.1158 0.2495 1 0.0
S1 S-2 0.3221 0.3673 0.2253 1 0.0
P1 P+5 0.5 0.294 0.355 1 0.0
Na2 Na+1 0 0.3684 0.2938 1 0.0
