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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/22/1532222.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_1532222
loop_
_publ_author_name
'Tao, S.-W.'
'Irvine, J.T.S.'
_publ_section_title
;
 Structure and properties of nonstoichiometric mixed perovskites A3 B'1+x
 B"2-x O9-d
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              659
_journal_page_last               667
_journal_volume                  154
_journal_year                    2002
_chemical_formula_sum            'Mn0.8 Nb1.2 O6 Sr2'
_chemical_name_systematic        'Sr2 (Mn0.8 Nb1.2) O6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.6451
_cell_length_b                   5.6589
_cell_length_c                   7.9729
_cell_volume                     254.695
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Tao_SSIOD3_2002_873.cif
_cod_data_source_block           Mn0.8Nb1.2O6Sr2
_cod_original_cell_volume        254.6947
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1532222
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
Mn1 Mn+2 0.5 0 0 0.4 0.0
O1 O-2 0.05009 0.50646 0.25 1 0.0
Nb1 Nb+5 0.5 0 0 0.6 0.0
Sr1 Sr+2 -0.00363 0.00616 0.25 1 0.0
O2 O-2 0.74837 0.26891 0.00435 1 0.0
