#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1006170.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_1006170
_chemical_name_systematic
;
Samarium strontium manganese oxide (0.75/0.25/1/3)
;
_chemical_formula_structural       'Sm0.75 Sr0.25 Mn O3'
_chemical_formula_sum            'Mn O3 Sm0.75 Sr0.25'
_[local]_cod_chemical_formula_sum_orig 'Mn O3 Sm.75 Sr.25'
_publ_section_title
;
Atomic structure and transport and magnetic properties of the Sm1-xSrx
Mn O3 system
;
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'
_journal_name_full
;
Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)
;
_journal_coden_ASTM                FTVTAC
_journal_volume                    40
_journal_year                      1998
_journal_page_first                1271
_journal_page_last                 1276
_journal_issue                     7
_cell_length_a                     5.5062
_cell_length_b                     7.672
_cell_length_c                     5.435
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90.49
_cell_volume                       229.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 1 21/a'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
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_type_symbol
_atom_type_oxidation_number
  Mn3+   3.250
  Sm3+   3.000
  Sr2+   2.000
  O2-   -2.000
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 0.042 0.237 -0.024 0.75  0 d
  Sr1   Sr2+   4 e 0.042 0.237 -0.024 0.25  0 d
  O1    O2-    4 e 0.491 0.242 0.057 1.  0 d
  O2    O2-    4 e 0.297 0.034 0.71 1.  0 d
  O3    O2-    4 e 0.713 0.541 0.307 1.  0 d