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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/1/53/73/1537387.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_1537387
loop_
_publ_author_name
'Hariharan, A.V.'
'Powell, D.R.'
'Jacobson, R.A.'
'Franzen, H.F.'
_publ_section_title
;
 The Crystal Structure of Lu3 S4: A New Population wave Structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              148
_journal_page_last               150
_journal_volume                  36
_journal_year                    1981
_chemical_formula_sum            'Lu2.25 S3'
_chemical_name_systematic        '(Lu3 S4).75'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.747
_cell_length_b                   22.813
_cell_length_c                   7.602
_cell_volume                     1863.792
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Hariharan_JSSCBI_1981_1324.cif
_cod_data_source_block           Lu2.25S3
_cod_original_sg_symbol_Hall     '-F 2uv 2vw (x+1/8,y+1/8,z+1/8)'
_cod_database_code               1537387
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x,-y+1/2,-z+1/2
-x+1/2,y,-z+1/2
-x+1/4,-y+1/4,-z+1/4
x-1/4,y-1/4,-z+1/4
-x+1/4,y-1/4,z-1/4
x-1/4,-y+1/4,z-1/4
x,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x,-y+1,-z+1
-x+1/2,y+1/2,-z+1
-x+1/4,-y+3/4,-z+3/4
x-1/4,y+1/4,-z+3/4
-x+1/4,y+1/4,z+1/4
x-1/4,-y+3/4,z+1/4
x+1/2,y,z+1/2
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1,y,-z+1
-x+3/4,-y+1/4,-z+3/4
x+1/4,y-1/4,-z+3/4
-x+3/4,y-1/4,z+1/4
x+1/4,-y+1/4,z+1/4
x+1/2,y+1/2,z
-x+1,-y+1,z
x+1/2,-y+1,-z+1/2
-x+1,y+1/2,-z+1/2
-x+3/4,-y+3/4,-z+1/4
x+1/4,y+1/4,-z+1/4
-x+3/4,y+1/4,z-1/4
x+1/4,-y+3/4,z-1/4
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
Lu1 Lu+2 0 0 0 0.54 0.0
Lu2 Lu+2 0 0 0.5 0.84 0.0
Lu4 Lu+2 0 0.1661 0 0.75 0.0
S2 S-2 0.25 0.16667 0 1 0.0
S1 S-2 0.25 0 0 1 0.0
Lu3 Lu+2 0 0.3327 0 0.83 0.0
