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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/1/53/42/1534299.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_1534299
loop_
_publ_author_name
'Bongers, P.F.'
'Jellinek, F.'
'van Bruggen, C.F.'
'Koopstra, J.'
'Omloo, W.P.F.A.M.'
'Wiegers, G.A.'
_publ_section_title
;
 Structures and Magnetic Properties of Some Metal(I) Chromium(III)
 Sulfides and Selenides
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              977
_journal_page_last               984
_journal_volume                  29
_journal_year                    1968
_chemical_formula_sum            'Cr Cu Se2'
_chemical_name_systematic        'Cu Cr Se2'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.676
_cell_length_b                   3.676
_cell_length_c                   19.37
_cell_volume                     226.679
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Bongers_JPCSAW_1968_283.cif
_cod_data_source_block           Cr1Cu1Se2
_cod_original_formula_sum        'Cr1 Cu1 Se2'
_cod_database_code               1534299
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Se1 Se-2 0 0 0.261 1 0.0
Cr1 Cr+3 0 0 0 1 0.0
Cu1 Cu+1 0 0 0.144 1 0.0
Se2 Se-2 0 0 0.739 1 0.0
