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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/1/53/31/1533148.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_1533148
loop_
_publ_author_name
'Escamilla, R.'
'Duran, A.'
'Rosales, M.I.'
'Moran, E.'
'Alario-Franco, M.A.'
_publ_section_title
;
 The effect of Mn substitution on the structure and magnetic properties of
 Se (Cu1-x Mnx) O3 solid solution
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              1951
_journal_page_last               1961
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Cu0.25 Mn0.75 O3 Se'
_chemical_name_systematic        '(Cu0.25 Mn0.75) (Se O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.069
_cell_length_b                   7.8299
_cell_length_c                   5.1538
_cell_volume                     244.907
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Escamilla_JCOMEL_2003_367.cif
_cod_data_source_block           Cu0.25Mn0.75O3Se1
_cod_original_cell_volume        244.9068
_cod_original_formula_sum        'Cu0.25 Mn0.75 O3 Se1'
_cod_database_code               1533148
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
O1 O-2 0.0797 0.25 0.311 1 0.0
Cu1 Cu+2 0 0 0.5 0.25 0.0
O2 O-2 0.1852 0.0809 0.879 1 0.0
Mn1 Mn+2 0 0 0.5 0.75 0.0
Se1 Se+4 0.0295 0.25 0.0122 1 0.0
