#------------------------------------------------------------------------------
#$Date: 2025-09-08 09:13:20 +0200 (Mon 08 de Sep de 2025) $
#$Revision: 302052 $
#$URL: svn://www.crystallography.net/cod/cif/3/00/05/3000557.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_3000557
loop_
_publ_author_name
'Bin Cao'
_publ_section_title
;
 A Li-rich layered oxide cathode with remarkable capacity and prolonged
 cycle life
;
_journal_name_full               'Chemical Engineering Journal'
_journal_year                    2024
_chemical_formula_structural     Li2MnO3
_chemical_formula_sum            'Li8 Mn4 O12'
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 109.48644
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   4.94018
_cell_length_b                   8.53897
_cell_length_c                   5.03008
_cell_volume                     200.035
_journal_article_reference
https://www.sciencedirect.com/science/article/abs/pii/S1385894724030092
_cod_data_source_file            Li2MnO_F3.cif
_cod_data_source_block           Li2MnO3
_cod_depositor_comments
'Releasing structure 3000557 into public domain as published material.'
_cod_original_cell_volume        200.03504511139664
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               3000557
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_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li+ Li0 4 0.00000000 0.33872861 0.50000000 1
Li+ Li1 2 0.00000000 0.00000000 0.50000000 1
Li+ Li2 2 0.00000000 0.50000000 0.00000000 1
Mn4+ Mn3 4 0.00000000 0.16707251 0.00000000 1
O2- O4 8 0.24618014 0.17812514 0.77539142 1
O2- O5 4 0.22026001 0.00000000 0.22771423 1
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li+ 1.0
Mn4+ 4.0
O2- -2.0
