#------------------------------------------------------------------------------
#$Date: 2008-01-26 17:25:03 +0000 (Sat, 26 Jan 2008) $
#$Revision: 20 $
#$URL: svn://www.crystallography.net/cod/cif/1/1006142.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_1006142
_chemical_name_systematic          'Lanthanum manganate(III)'
_chemical_formula_structural       'La (Mn O3)'
_chemical_formula_sum              'La Mn O3'
_publ_section_title
;
Neutron-diffraction of the Jahn-Teller transition in stoichiometricLa
Mn O3
;
loop_
_publ_author_name
  'Rodriguez-Carvajal, J'
  'Hennion, M'
  'Moussa, F'
  'Moudden, A H'
  'Pinsard, L'
  'Revcolevschi, A'
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_coden_ASTM                PRBMDO
_journal_volume                    57
_journal_year                      1998
_journal_page_first                3189
_journal_page_last                 3192
_cell_length_a                     5.5520(2)
_cell_length_b                     5.7269(2)
_cell_length_c                     7.7365(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       246.0
_cell_formula_units_Z              4
_diffrn_ambient_temperature       573
_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
  Mn3+   3.000
  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
  La1   La3+   4 c -0.0063(3) 0.0443(2) 0.25 1.  0 d
  Mn1   Mn3+   4 a 0.5 0. 0. 1.  0 d
  O1    O2-    4 c 0.0725(3) 0.4885(3) 0.25 1.  0 d
  O2    O2-    8 d 0.7257(2) 0.3038(2) 0.0378(2) 1.  0 d
_refine_ls_R_factor_all            0.0104