#------------------------------------------------------------------------------
#$Date: 2015-07-12 18:54:19 +0200 (dom 12 de jul de 2015) $
#$Revision: 147654 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/64/1526463.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_1526463
loop_
_publ_author_name
'Sato, M.'
'Ohkawa, H.'
'Yoshida, K.'
'Saito, M.'
'Uematsu, K.'
'Toda, K.'
_publ_section_title
;
 Enhancement of discharge capacity of Li3 V2 (P O4)3 by stabilizing the
 orthorhombic phase at room temperature
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              137
_journal_page_last               142
_journal_volume                  135
_journal_year                    2000
_chemical_formula_sum            'Li2.78 O12 P3 V1.8 Zr0.2'
_chemical_name_systematic        'Li2.78 (V0.9 Zr0.1)2 (P O4)3'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1005
_cell_length_b                   8.6539
_cell_length_c                   8.6546
_cell_volume                     906.280
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Sato_SSIOD3_2000_600.cif
_cod_data_source_block           Li2.78O12P3V1.8Zr0.2
_cod_original_cell_volume        906.2796
_cod_database_code               1526463
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-y,z-1/2
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
P1 P+5 0.1476 0.1067 0.1054 1 0.0
O4 O-2 0.0741 0.4436 0.3538 1 0.0
O6 O-2 0.1829 0.1583 0.2694 1 0.0
O2 O-2 0.2732 0.3245 0.4835 1 0.0
Li2 Li+1 0.3 0.12 0.357 0.33 0.0
P2 P+5 0.5 0.0419 0.25 1 0.0
Li1 Li+1 0.324 0.286 0.285 0.72 0.0
O5 O-2 0.4221 0.1446 0.1582 1 0.0
O3 O-2 0.0312 0.1545 0.0661 1 0.0
Zr1 Zr+4 0.1134 0.247 0.4641 0.1 0.0
O1 O-2 0.3404 0.431 0.1011 1 0.0
Li3 Li+1 0.231 0.424 0.27 0.34 0.0
V1 V+3 0.1134 0.247 0.4641 0.9 0.0
