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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/66/1536626.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_1536626
loop_
_publ_author_name
'Kim, S.-J.'
'Anderegg, J.W.'
'Franzen, H.F.'
_publ_section_title
;
 Structure of a new intermediate Lu2-x S3
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              133
_journal_page_last               138
_journal_volume                  157
_journal_year                    1990
_chemical_formula_sum            'Lu2 S3'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.7735
_cell_length_b                   7.7053
_cell_length_c                   22.837
_cell_volume                     1895.769
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Kim_JCOMAH_1990_1655.cif
_cod_data_source_block           Lu2S3
_cod_database_code               1536626
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/4,-y+1/4,z
x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
-x,-y,-z
x-1/4,y-1/4,-z
-x,y-1/4,z-1/4
x-1/4,-y,z-1/4
x,y+1/2,z+1/2
-x+1/4,-y+3/4,z+1/2
x,-y+3/4,-z+3/4
-x+1/4,y+1/2,-z+3/4
-x,-y+1/2,-z+1/2
x-1/4,y+1/4,-z+1/2
-x,y+1/4,z+1/4
x-1/4,-y+1/2,z+1/4
x+1/2,y,z+1/2
-x+3/4,-y+1/4,z+1/2
x+1/2,-y+1/4,-z+3/4
-x+3/4,y,-z+3/4
-x+1/2,-y,-z+1/2
x+1/4,y-1/4,-z+1/2
-x+1/2,y-1/4,z+1/4
x+1/4,-y,z+1/4
x+1/2,y+1/2,z
-x+3/4,-y+3/4,z
x+1/2,-y+3/4,-z+1/4
-x+3/4,y+1/2,-z+1/4
-x+1/2,-y+1/2,-z
x+1/4,y+1/4,-z
-x+1/2,y+1/4,z-1/4
x+1/4,-y+1/2,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
Lu3 Lu+3 0.125 0.125 0.5416 0.125 0.0
Lu1 Lu+3 0.125 0.125 0.041 0.956 0.0
Lu2 Lu+3 0.125 0.125 0.376 0.926 0.0
S2 S-2 0.125 0.375 0.4583 1 0.0
S1 S-2 0.125 0.375 0.125 1 0.0
