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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/1/52/55/1525574.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_1525574
loop_
_publ_author_name
'Ammundsen, B.'
'Steiner, R.'
'Desilvestro, J.'
'Groutso, T.'
'Hassell, D.'
'Regan, E.'
'Pickering, P.J.'
'Metson, J.B.'
_publ_section_title
;
 Formation and structural properties of layered Li Mn O2 cathode materials
;
_journal_name_full               'Electrochemical Society Proceedings'
_journal_page_first              57
_journal_page_last               67
_journal_volume                  99
_journal_year                    2000
_chemical_formula_sum            'Cr0.05 Li Mn0.95 O2'
_chemical_name_systematic        'Li (Cr0.05 Mn0.95) O2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.98
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.431
_cell_length_b                   2.807
_cell_length_c                   5.385
_cell_volume                     73.798
_citation_journal_id_ASTM        PESODO
_cod_data_source_file            Ammundsen_PESODO_2000_384.cif
_cod_data_source_block           Cr0.05Li1Mn0.95O2
_cod_original_cell_volume        73.79756
_cod_original_formula_sum        'Cr0.05 Li1 Mn0.95 O2'
_cod_database_code               1525574
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Li1 Li+1 0 0.5 0.5 1 0.0
O1 O-2 0.273 0 0.773 1 0.0
Cr1 Cr+3 0 0 0 0.05 0.0
Mn1 Mn+3 0 0 0 0.95 0.0
