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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/17/1521773.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_1521773
loop_
_publ_author_name
'Powell, A.V.'
'Colgan, D.C.'
'Ritter, C.'
_publ_section_title
;
 Magnetic structure and spin reorientation in the ternary sulfides, Nix
 Cr3-x S4 (x = 1/4, 1/2, 3/4)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              163
_journal_page_last               173
_journal_volume                  143
_journal_year                    1999
_chemical_formula_sum            'Cr2.75 Ni0.25 S4'
_chemical_name_systematic        '(Ni0.25 Cr2.75) S4'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.544
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.8693
_cell_length_b                   3.41244
_cell_length_c                   11.055
_cell_volume                     221.336
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Powell_JSSCBI_1999_253.cif
_cod_data_source_block           Cr2.75Ni0.25S4
_cod_original_cell_volume        221.3362
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_database_code               1521773
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+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
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
Cr2 Cr+3 -0.025 0 0.2568 0.996 0.0
Cr1 Cr+2 0 0 0 0.759 0.0
S2 S-2 0.328 0 0.884 1 0.0
Ni2 Ni+2 -0.025 0 0.2568 0.004 0.0
S1 S-2 0.338 0 0.367 1 0.0
Ni1 Ni+2 0 0 0 0.241 0.0
