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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/18/1001820.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
loop_
_publ_author_name
'Maignan, A'
'Michel, C'
'Hervieu, M'
'Raveau, B'
_publ_section_title
;
A monoclinic manganite, La0.9 Mn O(3-$-delta), with colossal
magnetoresistance properties near room temperature
;
_journal_coden_ASTM              SSCOA4
_journal_issue                   4
_journal_name_full               'Solid State Communications'
_journal_page_first              277
_journal_page_last               281
_journal_paper_doi               10.1016/S0038-1098(96)00533-9
_journal_volume                  101
_journal_year                    1997
_chemical_formula_structural     'La0.9125 (Mn O3)'
_chemical_formula_sum            'La0.9125 Mn O3'
_chemical_name_systematic        'Lanthanum manganese oxide (.91/1/3)'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.78
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.790(1)
_cell_length_b                   5.526(1)
_cell_length_c                   5.479(1)
_cell_volume                     235.8
_refine_ls_R_factor_all          0.072
_cod_original_formula_sum        'La.9125 Mn O3'
_cod_database_code               1001820
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+ 3.000
Mn3+ 3.262
O2- -2.000