#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/24/4002413.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_4002413
loop_
_publ_author_name
'McCabe, E.E.'
'Greaves, C.'
_publ_section_title
;
 Synthesis and structural and magnetic characterization of mixed
 manganese-copper n = 1 Ruddlesden-Popper phases
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              5774
_journal_page_last               5781
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'Cu0.5 Mn0.5 O4 Pr Sr'
_chemical_name_systematic        '(Pr Sr) (Mn0.5 Cu0.5) O4'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.79161
_cell_length_b                   3.79161
_cell_length_c                   12.716
_cell_volume                     182.809
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            McCabe_CMATEX_2006_1177.cif
_cod_data_source_block           Cu0.5Mn0.5O4Pr1Sr1
_cod_original_cell_volume        182.8091
_cod_original_formula_sum        'Cu0.5 Mn0.5 O4 Pr1 Sr1'
_cod_database_code               4002413
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
Sr1 Sr+2 0 0 0.35815 0.5 0.0
Pr1 Pr+3 0 0 0.35815 0.5 0.0
Cu1 Cu+2 0 0 0 0.5 0.0
Mn1 Mn+4 0 0 0 0.5 0.0
O2 O-2 0 0 0.1684 1 0.0
O1 O-2 0 0.5 0 1 0.0
