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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/1/51/40/1514015.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_1514015
_publ_author_name
'Komaba, S.  Myung, S.T.  Kumagai, N.  Kanouchi, T.  Oikawa, K.  Kamiyama, T.'
_publ_section_title
;
 Hydrothermal synthesis of high crystalline orthorhombic Li Mn O2 as a
 cathode material for Li-ion batteries
;
_journal_page_first              311
_journal_page_last               318
_journal_volume                  152
_journal_year                    2002
_chemical_formula_structural     'Li (Mn O2)'
_chemical_formula_sum            'Li Mn O2'
_chemical_name_systematic        'Lithium Manganate(III)'
_space_group_IT_number           59
_symmetry_Int_Tables_number      59
_symmetry_space_group_name_Hall  '-P 2c 2a'
_symmetry_space_group_name_H-M   'P m n m :2'
_audit_creation_date             2003/10/01
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.5795(7)
_cell_length_b                   5.7550(8)
_cell_length_c                   2.8106(4)
_cell_volume                     74.073(19)
_citation_journal_id_ASTM
'primary Solid State Ionics 2002 152 311 318 SSIOD3'
_refine_ls_R_factor_all          0.0754
_cod_data_source_file            'data_LiMnO2melanie095640.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395832697.57-D290F29E9218B844.cif
_cod_original_cell_volume        74.07
_cod_original_sg_symbol_H-M      'P m n m Z'
_cod_original_formula_sum        'Li1 Mn1 O2'
_cod_database_code               1514015
loop_
_journal_name_full
'Solid State Ionics'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x+1/2, -y, z+1/2'
2 '-x, -y, z+1/2'
3 'x+1/2, -y, -z'
4 '-x, -y, -z'
5 '-x+1/2, y, -z+1/2'
6 'x, y, -z+1/2'
7 '-x+1/2, y, z'
8 'x, 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_B_iso_or_equiv
Li1 Li1+ 2 a 0.250 0.111(3) 0.250 1. 0 0.70
Mn1 Mn3+ 2 a 0.250 0.6324(4) 0.250 1. 0 0.57(11)
O1 O2- 2 b 0.750 0.1406(14) 0.250 1. 0 0.34(12)
O2 O2- 2 b 0.750 0.5993(11) 0.250 1. 0 0.34(12)
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Mn3+ 3
O2- -2