#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/61/1006141.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_1006141
loop_
_publ_author_name
'Rodriguez-Carvajal, J'
'Hennion, M'
'Moussa, F'
'Moudden, A H'
'Pinsard, L'
'Revcolevschi, A'
_publ_section_title
;
Neutron-diffraction of the Jahn-Teller transition in stoichiometric La
Mn O3
;
_journal_coden_ASTM              PRBMDO
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              3189
_journal_page_last               3192
_journal_volume                  57
_journal_year                    1998
_chemical_formula_structural     'La (Mn O3)'
_chemical_formula_sum            'La Mn O3'
_chemical_name_systematic        'Lanthanum manganate(III)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5367(1)
_cell_length_b                   5.7473(1)
_cell_length_c                   7.6929(2)
_cell_volume                     244.8
_diffrn_ambient_temperature      298
_refine_ls_R_factor_all          0.0898
_cod_database_code               1006141
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_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 -0.0078(3) 0.0490(2) 0.25 1. 0 d
Mn1 Mn3+ 4 a 0.5 0. 0. 1. 0 d
O1 O2- 4 c 0.0745(3) 0.4874(3) 0.25 1. 0 d
O2 O2- 8 d 0.7256(2) 0.3066(2) 0.0384(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+ 3.000
Mn3+ 3.000
O2- -2.000
