#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001820.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_1001820
_chemical_name_systematic          'Lanthanum manganese oxide (.91/1/3)'
_chemical_formula_structural       'La0.9125 (Mn O3)'
_chemical_formula_sum            'La0.9125 Mn O3'
_[local]_cod_chemical_formula_sum_orig 'La.9125 Mn O3'
_publ_section_title
;
A monoclinic manganite, La0.9 Mn O(3-$-delta), with colossal
magnetoresistance properties near room temperature
;
loop_
_publ_author_name
  'Maignan, A'
  'Michel, C'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    101
_journal_year                      1997
_journal_page_first                277
_journal_page_last                 281
_journal_issue                     4
_cell_length_a                     7.790(1)
_cell_length_b                     5.526(1)
_cell_length_c                     5.479(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90.78
_cell_angle_gamma                  90
_cell_volume                       235.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I 1 2/a 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,-z'
  '-x,-y,-z'
  '1/2+x,-y,z'
  '1/2+x,1/2+y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Mn3+   3.262
  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
  La1   La3+   4 e 0.25 0.502(1) 0. 0.9125(3)  0 d
  Mn1   Mn3+   4 a 0. 0. 0. 1.  0 d
  O1    O2-    4 e 0.25 0. 0. 1.  0 d
  O2    O2-    8 f 0. 0.205(2) 0.294(2) 1.  0 d
_refine_ls_R_factor_all            0.072