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#$Date: 2016-02-21 09:49:01 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176808 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/40/1514066.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_1514066
loop_
_publ_author_name
'Lee, Sanghyun'
'Choi, Seongil'
'Kim, Jiyeon'
'Sim, Hasung'
'Won, Choongjae'
'Lee, Seongsu'
'Kim, Shin'
'Hur, Namjung'
'Park, Je-Geun'
_publ_section_title
;
 Antiferromagnetic ordering in Li2 Mn O3 single crystals with a
 2-dimensional honeycomb lattice
;
_journal_coden_ASTM              JCOMEL
_journal_issue                   45
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              456004-1
_journal_page_last               456004-9
_journal_volume                  24
_journal_year                    2012
_chemical_formula_structural     'Li2 (Mn O3)'
_chemical_formula_sum            'Li2 Mn O3'
_chemical_name_systematic        'Dilithium Manganate(IV)'
_space_group_IT_number           12
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_date             2013/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 109.376(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   4.9166(1)
_cell_length_b                   8.5065(2)
_cell_length_c                   5.0117(1)
_cell_volume                     197.733(8)
_refine_ls_R_factor_all          0.0386
_cod_data_source_file            'data_Li2MnO3melanie187499.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395910160.34-D290F29E9218B844.cif
_cod_original_cell_volume        197.73
_cod_original_formula_sum        'Li2 Mn1 O3'
_cod_database_code               1514066
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x, y, -z'
2 '-x, -y, -z'
3 'x, -y, z'
4 'x, y, z'
5 '-x+1/2, y+1/2, -z'
6 '-x+1/2, -y+1/2, -z'
7 'x+1/2, -y+1/2, z'
8 '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_B_iso_or_equiv
Mn1 Mn4+ 4 g 0 0.1661(7) 0. 1. 0 0.61(8)
Li1 Li1+ 2 b 0 0.5 0. 1. 0 0.93(10)
Li2 Li1+ 2 c 0 0 0.5 1. 0 0.93(10)
Li3 Li1+ 4 h 0 0.6617(20) 0.5 1. 0 0.93(10)
O1 O2- 4 i 0.2190(8) 0 0.2260(9) 1. 0 0.60(3)
O2 O2- 8 j 0.2533(5) 0.3238(3) 0.2231(5) 1. 0 0.60(3)
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Mn4+ 4
O2- -2