#------------------------------------------------------------------------------
#$Date: 2015-09-17 23:08:16 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156849 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/21/7222176.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_7222176
loop_
_publ_author_name
'Eyob, P.'
'Thomas, J.O.'
'Andersson, A.S.'
_publ_section_title
;
 A neutron powder diffraction study of electrochemically lithiated R -
 (Li3+x Fe2 (P O4)3) for x = 1.8
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2343
_journal_page_last               2347
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'Fe2 Li3 O12 P3'
_chemical_name_systematic        'Li3 Fe2 (P O4)3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.3009
_cell_length_b                   8.3009
_cell_length_c                   22.502
_cell_volume                     1342.772
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Eyob_JMACEP_2002_1152.cif
_cod_data_source_block           Fe2Li3O12P3
_cod_database_code               7222176
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
O3 O-2 0.2414 0.8023 0.2685 1 0.0
Fe2 Fe+3 0 0 0.6503 1 0.0
Fe1 Fe+3 0 0 0.1468 1 0.0
Li1 Li+1 0.347 0.034 0.384 1 0.0
O1 O-2 0.1909 -0.0098 0.1928 1 0.0
O4 O-2 0.4991 0.8799 0.7556 1 0.0
P1 P+5 0.2909 0.0009 0.25 1 0.0
O2 O-2 0.767 0.9108 0.7007 1 0.0
