#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/45/4124523.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_4124523
loop_
_publ_author_name
'Yin, S.-C.'
'Nazar, L.F.'
'Grondey, H.'
'Anne, M.'
'Strobel, P.'
_publ_section_title
;
 Electrochemical property: structure relationships in monoclinic Li3-y V2
 (P O4)3
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10402
_journal_page_last               10411
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'Li3 O12 P3 V2'
_chemical_name_systematic        'Li3 V2 (P O4)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.609
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6056
_cell_length_b                   8.5917
_cell_length_c                   12.037
_cell_volume                     889.926
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Yin_JACSAT_2003_1859.cif
_cod_data_source_block           Li3O12P3V2
_cod_original_cell_volume        889.9261
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               4124523
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,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
O11 O-2 0.1725 0.163 0.4314 1 0.0
V2 V+3 0.75307 0.47451 0.39038 1 0.0
O8 O-2 0.6437 0.2933 0.3143 1 0.0
Li2 Li+1 0.934 0.312 0.226 1 0.0
O12 O-2 0.1059 0.3662 0.5761 1 0.0
O5 O-2 0.4229 0.0912 0.3267 1 0.0
Li1 Li+1 0.202 0.781 0.182 1 0.0
P2 P+5 0.6078 0.1149 0.3552 1 0.0
Li3 Li+1 0.576 0.429 0.207 1 0.0
O6 O-2 0.6959 0.0045 0.2841 1 0.0
P3 P+5 0.0395 0.2509 0.4885 1 0.0
O9 O-2 0.9509 0.1284 0.5695 1 0.0
P1 P+5 0.1069 0.0996 0.1586 1 0.0
O2 O-2 0.1482 0.9769 0.2404 1 0.0
O10 O-2 0.9307 0.3194 0.4028 1 0.0
O3 O-2 0.1727 0.0516 0.0346 1 0.0
O7 O-2 0.6416 0.0876 0.4772 1 0.0
O1 O-2 0.9276 0.1163 0.1463 1 0.0
O4 O-2 0.1618 0.2609 0.1845 1 0.0
V1 V+3 0.25103 0.45935 0.10936 1 0.0
