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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008373.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
_chemical_name_systematic          'Dilithium manganese(IV) trioxide'
_chemical_formula_structural       'Li2 Mn O3'
_chemical_formula_sum              'Li2 Mn O3'
_publ_section_title
;
Crystallographic and Magnetic Structure of Li~2~ Mn O~3~
;
loop_
_publ_author_name
  'Strobel, P'
  'Lambert-Andron, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    75
_journal_year                      1988
_journal_page_first                90
_journal_page_last                 98
_cell_length_a                     4.937(1)
_cell_length_b                     8.532(1)
_cell_length_c                     5.030(2)
_cell_angle_alpha                  90
_cell_angle_beta                   109.46(3)
_cell_angle_gamma                  90
_cell_volume                       199.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
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_type_symbol
_atom_type_oxidation_number
  Mn4+   4.000
  Li1+   1.000
  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
  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
_refine_ls_R_factor_all            0.02