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#$Date: 2015-10-10 08:30:30 +0300 (Sat, 10 Oct 2015) $
#$Revision: 165186 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/71/1537163.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_1537163
loop_
_publ_author_name
'Kuz'micheva, G.M.'
'Smarina, E.I.'
'Khlyustova, S.Yu.'
'Chernyshev, V.V.'
_publ_section_title
;
 Crystal structure of theta - Tm2S3
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              869
_journal_page_last               873
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'S3 Tm2'
_chemical_name_systematic        'Tm2 S3'
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.489
_cell_length_b                   12.489
_cell_length_c                   12.489
_cell_volume                     1947.973
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Kuzmicheva_ZNOKAQ_1990_989.cif
_cod_data_source_block           S3Tm2
_cod_database_code               1537163
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
x,-y,-z+1/2
-x,y+1/2,-z+1/2
z,x,y
-z,-x+1/2,y
z,-x,-y+1/2
-z,x+1/2,-y+1/2
y,z,x
y,-z,-x+1/2
-y,z+1/2,-x+1/2
-y+1/2,-z,x+1/2
-x,-y,-z
x,y-1/2,-z
-x,y,z-1/2
x,-y-1/2,z-1/2
-z,-x,-y
z,x-1/2,-y
-z,x,y-1/2
z,-x-1/2,y-1/2
-y,-z,-x
-y,z,x-1/2
y,-z-1/2,x-1/2
y-1/2,z,-x-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1,-z+1
z+1/2,x+1/2,y+1/2
-z+1/2,-x+1,y+1/2
z+1/2,-x+1/2,-y+1
-z+1/2,x+1,-y+1
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1
-y+1/2,z+1,-x+1
-y+1,-z+1/2,x+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y,z
-z+1/2,-x+1/2,-y+1/2
z+1/2,x,-y+1/2
-z+1/2,x+1/2,y
z+1/2,-x,y
-y+1/2,-z+1/2,-x+1/2
-y+1/2,z+1/2,x
y+1/2,-z,x
y,z+1/2,-x
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
Tm2 Tm+3 0.25 0.4522 0 1 0.0
S1 S-2 0.3834 0.3938 0.1609 1 0.0
Tm1 Tm+3 0.25 0.25 0.25 1 0.0
