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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/1/52/84/1528409.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_1528409
loop_
_publ_author_name
'Cheah, M.'
'Saines, P.J.'
'Kennedy, B.J.'
_publ_section_title
;
 The Jahn-Teller distortion and cation ordering in the perovskite Sr2 Mn
 Sb O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1775
_journal_page_last               1781
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Mn O6 Sb Sr2'
_chemical_name_systematic        'Sr2 Mn Sb O6'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5313
_cell_length_b                   5.5313
_cell_length_c                   8.0832
_cell_volume                     247.308
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cheah_JSSCBI_2006_1162.cif
_cod_data_source_block           Mn1O6Sb1Sr2
_cod_original_cell_volume        247.3078
_cod_original_formula_sum        'Mn1 O6 Sb1 Sr2'
_cod_database_code               1528409
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+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 0.5 0.25 1 0.0
Mn1 Mn+3 0 0 0 0.416 0.0
Sb2 Sb+5 0 0 0.5 0.416 0.0
O2 O-2 0.7793 0.7116 0 1 0.0
O1 O-2 0 0 0.2404 1 0.0
Sb1 Sb+5 0 0 0 0.584 0.0
Mn2 Mn+3 0 0 0.5 0.584 0.0
