#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/59/1525920.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_1525920
loop_
_publ_author_name
'Dong, Y.'
'Yun, H.'
'Lee, K.'
'Hur, N.H.'
_publ_section_title
;
 Synthesis, structure and magnetic properties of one-dimensional
 thiophosphates, A2 Ni P2 S6 (A= Rb, Cs)
;
_journal_name_full               'Journal of the Korean Chemical Society'
_journal_page_first              242
_journal_page_last               246
_journal_volume                  45
_journal_year                    2001
_chemical_formula_sum            'Cs2 Ni P2 S6'
_chemical_name_systematic        'Cs2 Ni (P2 S6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.6
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.957
_cell_length_b                   12.696
_cell_length_c                   7.679
_cell_volume                     579.617
_citation_journal_id_ASTM        JKCSEZ
_cod_data_source_file            Dong_JKCSEZ_2001_1386.cif
_cod_data_source_block           Cs2Ni1P2S6
_cod_original_cell_volume        579.6173
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cs2 Ni1 P2 S6'
_cod_database_code               1525920
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
S1 S-2 0.2495 -0.0769 0.7607 1 0.0
Ni1 Ni+2 0 0 0 1 0.0
Cs1 Cs+1 0.2351 0.1718 0.5297 1 0.0
P1 P+4 0.4546 0.0386 0.1216 1 0.0
S3 S-2 0.2464 0.1569 0.0375 1 0.0
S2 S-2 0.2606 -0.0686 0.235 1 0.0
