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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/83/1008373.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_1008373
loop_
_publ_author_name
'Strobel, P'
'Lambert-Andron, B'
_publ_section_title
;
Crystallographic and Magnetic Structure of Li₂ Mn O₃
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              90
_journal_page_last               98
_journal_paper_doi               10.1016/0022-4596(88)90305-2
_journal_volume                  75
_journal_year                    1988
_chemical_formula_structural     'Li2 Mn O3'
_chemical_formula_sum            'Li2 Mn O3'
_chemical_name_systematic        'Dilithium manganese(IV) trioxide'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.46(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.937(1)
_cell_length_b                   8.532(1)
_cell_length_c                   5.030(2)
_cell_volume                     199.8
_refine_ls_R_factor_all          0.02
_cod_database_code               1008373
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
-x,-y,-z
-x,y,-z
1/2+x,1/2+y,z
1/2+x,1/2-y,z
1/2-x,1/2-y,-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
Mn1 Mn4+ 4 g 0. 0.16708(2) 0. 1. 0 d
Li1 Li1+ 2 b 0. 0.5 0. 1. 0 d
Li2 Li1+ 2 c 0. 0. 0.5 1. 0 d
Li3 Li1+ 4 h 0. 0.6606(3) 0.5 1. 0 d
O1 O2- 4 i 0.2189(2) 0. 0.2273(2) 1. 0 d
O2 O2- 8 j 0.2540(1) 0.32119(7) 0.2233(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn4+ 4.000
Li1+ 1.000
O2- -2.000
