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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/1/53/40/1534074.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_1534074
loop_
_publ_author_name
'Lufaso, M.W.'
'Goldberger, J.'
'Woodward, P.M.'
_publ_section_title
;
 Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb,
 Nb, Ru) perovskites
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1651
_journal_page_last               1659
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Mn O6 Ru Sr2'
_chemical_name_systematic        'Sr2 (Mn Ru O6)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.45459
_cell_length_b                   5.45459
_cell_length_c                   7.934
_cell_volume                     236.057
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lufaso_JSSCBI_2004_1690.cif
_cod_data_source_block           Mn1O6Ru1Sr2
_cod_original_cell_volume        236.0567
_cod_original_formula_sum        'Mn1 O6 Ru1 Sr2'
_cod_database_code               1534074
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,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
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-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
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Ru1 Ru+5 0 0 0 0.5 0.0
Sr1 Sr+2 0 0.5 0.25 1 0.0
O2 O-2 0.2199 0.7199 0 1 0.0
Mn1 Mn+3 0 0 0 0.5 0.0
O1 O-2 0 0 0.25 1 0.0
