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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002560.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_4002560
loop_
_publ_author_name
'Garcia-Moreno, O.'
'Amador, U.'
'Alvarez-Vega, M.'
'Sanjuan, M.L.'
'Gallardo Amores, J.M.'
'Garcia-Jaca, J.'
'Garcia-Alvarado, F.'
_publ_section_title
;
 Influence of the structure on the electrochemical performance of lithium
 transition metal phosphates as cathodic materials in rechargeable lithium
 batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1570
_journal_page_last               1576
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Li Mn O4 P'
_chemical_name_systematic        'Li Mn (P O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.431
_cell_length_b                   6.0947
_cell_length_c                   4.7366
_cell_volume                     301.124
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Garcia-Moreno_CMATEX_2001_376.cif
_cod_data_source_block           Li1Mn1O4P1
_cod_original_cell_volume        301.1237
_cod_original_formula_sum        'Li1 Mn1 O4 P1'
_cod_database_code               4002560
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Mn1 Mn+2 0.2826 0.25 0.972 1 0.0
O2 O-2 0.456 0.25 0.216 1 0.0
O1 O-2 0.099 0.25 0.732 1 0.0
O3 O-2 0.157 0.047 0.274 1 0.0
Li1 Li+1 0 0 0 1 0.0
P1 P+5 0.096 0.25 0.413 1 0.0
