#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1006129.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_1006129
_chemical_name_systematic
;
Lanthanum strontium manganese oxide (0.88/0.12/1/3) - O'
;
_chemical_formula_structural       '(La0.875 Sr0.125) (Mn O3)'
_chemical_formula_sum            'La0.875 Mn O3 Sr0.125'
_[local]_cod_chemical_formula_sum_orig 'La.875 Mn O3 Sr.125'
_publ_section_title
;
Structural phase diagram of La1-x Srx Mn O3 for low Sr doping
;
loop_
_publ_author_name
  'Pinsard, L'
  'Rodriguez-Carvajal, J'
  'Revcolevschi, A'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    262
_journal_year                      1997
_journal_page_first                152
_journal_page_last                 156
_cell_length_a                     5.5489(4)
_cell_length_b                     5.5598(4)
_cell_length_c                     7.7375(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       238.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b n m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Sr2+   2.000
  O2-   -2.000
  Mn3+   3.125
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
  La1   La3+   4 c -0.0023(7) 0.0249(6) 0.25 0.875  0 d
  Sr1   Sr2+   4 c -0.0023(7) 0.0249(6) 0.25 0.125  0 d
  O1    O2-    4 c 0.0678(8) 0.4910(9) 0.25 1.  0 d
  O2    O2-    8 d 0.7358(15) 0.2865(7) 0.0358(4) 1.  0 d
  Mn1   Mn3+   4 b 0.5 0. 0. 1.  0 d
_refine_ls_R_factor_all            0.057
_cod_database_code 1006129