#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/05/1530555.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_1530555
loop_
_publ_author_name
'Patel, S.N.'
'Balchin, A.A.'
_publ_section_title
;
 Preparation and structural studies of lithium substituted nickel
 phosphorus trisulphide Li2 Ni P2 S6
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              45
_journal_page_last               49
_journal_volume                  14
_journal_year                    1984
_chemical_formula_sum            'Li2 Ni P2 S6'
_chemical_name_systematic        'Li2 Ni (P2 S6)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.926
_cell_length_b                   10.917
_cell_length_c                   6.718
_cell_volume                     420.961
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Patel_SSIOD3_1984_998.cif
_cod_data_source_block           Li2Ni1P2S6
_cod_original_formula_sum        'Li2 Ni1 P2 S6'
_cod_database_code               1530555
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+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
P1 P+4 0.9429 0 0.8292 1 0.0
S1 S-2 0.2481 0.8341 0.2479 1 0.0
Ni1 Ni+2 0 0.3328 0 0.5 0.0
Li1 Li+1 0 0.6672 0 0.5 0.0
Li2 Li+1 0.3334 0 0.5 0.5 0.0
S2 S-2 0.7508 0 0.2475 1 0.0
