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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532579.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_1532579
loop_
_publ_author_name
'Ijjaali, I.'
'Mitchell, K.'
'Ibers, J.A.'
_publ_section_title
;
 Preparation and structure of the light rare-earth copper selenides Ln Cu
 Se2 (Ln = La, Ce, Pr, Nd, Sm)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              760
_journal_page_last               764
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Cu La Se2'
_chemical_name_systematic        'La Cu Se2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.573
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8142
_cell_length_b                   7.5817
_cell_length_c                   7.2052
_cell_volume                     368.997
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ijjaali_JSSCBI_2004_1866.cif
_cod_data_source_block           Cu1La1Se2
_cod_original_formula_sum        'Cu1 La1 Se2'
_cod_database_code               1532579
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Se2 Se-2 0.58664 0.27418 0.00057 1 0.0
La1 La+3 0.30828 0.04995 0.19935 1 0.0
Se1 Se-2 0.09587 0.38951 0.27735 1 0.0
Cu1 Cu+1 0.072 0.6621 0.0522 1 0.0
