#------------------------------------------------------------------------------
#$Date: 2015-07-08 14:08:34 +0200 (Wed 08 de Jul de 2015) $
#$Revision: 141041 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/22/4002254.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_4002254
loop_
_publ_author_name
'Masquelier, C.'
'Rodriguez-Carvajal, J.'
'Wurm, C.'
'Gaubicher, J.'
'Nazar, L.'
_publ_section_title
;
 A powder neutron diffraction investigation of the two rhombohedral
 NASICON analogues: gamma-(Na3 Fe2 (P O4)3) and Li3 Fe2 (P O4)3
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              525
_journal_page_last               532
_journal_volume                  12
_journal_year                    2000
_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                   8.3162
_cell_length_b                   8.3162
_cell_length_c                   22.459
_cell_volume                     1345.151
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Masquelier_CMATEX_2000_1056.cif
_cod_data_source_block           Fe2Li3O12P3
_cod_database_code               4002254
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
O2 O-2 0.7656 0.9126 0.699 1 0.0
O1 O-2 0.1915 -0.0096 0.1919 1 0.0
Li1 Li+1 0.341 0.024 0.3819 1 0.0
O3 O-2 0.2434 0.8007 0.2659 1 0.0
P1 P+5 0.2923 0.0019 0.2513 1 0.0
O4 O-2 0.5006 0.8796 0.7556 1 0.0
Fe1 Fe+3 0 0 0.1461 1 0.0
Fe2 Fe+3 0 0 0.6528 1 0.0
