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#$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532901.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_1532901
loop_
_publ_author_name
'Mitchell, K.'
'Somers, R.C.'
'Huang Fuqiang'
'Ibers, J.A.'
_publ_section_title
;
 Syntheses, structure and magnetic properties of several Ln Yb Q3
 chalcogenides, Q = S, Se
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              709
_journal_page_last               713
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Pr Se3 Yb'
_chemical_name_systematic        'Pr Yb 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                   4.0152
_cell_length_b                   13.053
_cell_length_c                   9.868
_cell_volume                     517.186
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mitchell_JSSCBI_2004_1858.cif
_cod_data_source_block           Pr1Se3Yb1
_cod_original_cell_volume        517.1859
_cod_original_formula_sum        'Pr1 Se3 Yb1'
_cod_database_code               1532901
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
Pr1 Pr+3 0 0.74829 0.25 1 0.0
Se1 Se-2 0 0.35599 0.06264 1 0.0
Yb1 Yb+3 0 0 0 1 0.0
Se2 Se-2 0 0.08671 0.25 1 0.0