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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/39/1513956.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_1513956
loop_
_publ_author_name
'Hoppe, R.'
'Brachtel, G.'
'Jansen, M.'
_publ_section_title
;
 Zur Kenntnis der Oxomanganate(III):, Über LiMnO₂ und β-NaMnO₂ [1]
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   1
_journal_name_full
;
 Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.1002/zaac.19754170102
_journal_volume                  417
_journal_year                    1975
_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             1980/01/01
_audit_update_record             2012/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   2.805
_cell_length_b                   5.757
_cell_length_c                   4.572
_cell_volume                     73.830
_refine_ls_R_factor_all          0.0668
_cod_data_source_file            'data_LiMnO2melanie015768.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395661292.7-D290F29E9218B844.cif
_cod_original_cell_volume        73.83
_cod_original_sg_symbol_H-M      'P m n m Z'
_cod_original_formula_sum        'Li1 Mn1 O2'
_cod_database_code               1513956
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
Mn1 Mn3+ 2 a 0.25 0.6347(2) 0.25 1. 0 0.27
Li1 Li1+ 2 a 0.25 0.126(4) 0.25 1. 0 1.8
O1 O2- 2 b 0.25 0.144(1) 0.75 1. 0 0.3
O2 O2- 2 b 0.25 0.602(1) 0.75 1. 0 1.1
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Mn3+ 3
O2- -2
