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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/61/1006169.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_1006169
loop_
_publ_author_name
'Dunaevskii, S M'
'Kurbakov, A I'
'Trunov, V A'
'Chernyshov, D Yu'
'Popov, V V'
'Chernyshev, V V'
'Rodriguez-Carvajal, J'
_publ_section_title
;
Atomic structure and transport and magnetic properties of the Sm1-x Srx
Mn O3 system
;
_journal_coden_ASTM              FTVTAC
_journal_issue                   7
_journal_name_full
;
Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)
;
_journal_page_first              1271
_journal_page_last               1276
_journal_volume                  40
_journal_year                    1998
_chemical_formula_structural     '(Sm0.75 Sr0.25) Mn O3'
_chemical_formula_sum            'Mn O3 Sm0.75 Sr0.25'
_chemical_name_systematic
;
Samarium strontium manganese oxide (0.75/0.25/1/3)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ac'
_symmetry_space_group_name_H-M   'P 1 1 21/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.3
_cell_formula_units_Z            4
_cell_length_a                   5.479
_cell_length_b                   7.686
_cell_length_c                   5.453
_cell_volume                     229.6
_[local]_cod_chemical_formula_sum_orig 'Mn O3 Sm.75 Sr.25'
_cod_database_code               1006169
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,-y,1/2+z
-x,-y,-z
1/2+x,y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Mn1 Mn3+ 2 c 0.5 0. 0. 1. 0 d
Mn2 Mn3+ 2 d 0. 0.5 0.5 1. 0 d
Sm1 Sm3+ 4 e 0.035 0.242 -0.014 0.75 0 d
Sr1 Sr2+ 4 e 0.035 0.242 -0.014 0.25 0 d
O1 O2- 4 e 0.483 0.262 0.055 1. 0 d
O2 O2- 4 e 0.289 0.044 0.742 1. 0 d
O3 O2- 4 e 0.686 0.539 0.296 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn3+ 3.250
Sm3+ 3.000
Sr2+ 2.000
O2- -2.000