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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/16/1531663.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_1531663
loop_
_publ_author_name
'Joergens, S.'
'Johrendt, D.'
'Mewis, A.'
_publ_section_title
;
 Motive dichtester Kugelpackungen: die Verbindungen Zn3 (P S4)2 und Li Zn
 P S4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1765
_journal_page_last               1769
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Li P S4 Zn'
_chemical_name_systematic        'Li Zn (P S4)'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.738
_cell_length_b                   5.738
_cell_length_c                   8.914
_cell_volume                     293.490
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Joergens_ZAACAB_2002_980.cif
_cod_data_source_block           Li1P1S4Zn1
_cod_original_cell_volume        293.4903
_cod_original_formula_sum        'Li1 P1 S4 Zn1'
_cod_database_code               1531663
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
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
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
P1 P+5 0 0.5 0.25 1 0.0
Li1 Li+1 0 0 0.5 1 0.0
S1 S-2 0.7875 0.2772 0.1348 1 0.0
Zn1 Zn+2 0 0 0 1 0.0
