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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532577.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_1532577
loop_
_publ_author_name
'Ijjaali, I.'
'Mitchell, K.'
'Huang Fuqiang'
'Ibers, J.A.'
_publ_section_title
;
 Syntheses and characterization of the actinide manganese selenides Th Mn
 Se3 and U Mn Se3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              257
_journal_page_last               261
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Mn Se3 Th'
_chemical_name_systematic        'Th (Mn Se3)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0304
_cell_length_b                   12.795
_cell_length_c                   9.2883
_cell_volume                     478.988
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ijjaali_JSSCBI_2004_1788.cif
_cod_data_source_block           Mn1Se3Th1
_cod_original_formula_sum        'Mn1 Se3 Th1'
_cod_database_code               1532577
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,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
Th1 Th+4 0 0.74907 0.25 1 0.0
Se2 Se-2 0 0.08274 0.25 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
Se1 Se-2 0 0.35502 0.05864 1 0.0
