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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/1/53/31/1533105.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_1533105
loop_
_publ_author_name
'Dupre, N.'
'Wallez, G.'
'Gaubicher, J.'
'Quarton, M.'
_publ_section_title
;
 Phase transition induced by lithium insertion in (alpha I)- and (alpha
 II)- (V O P O4)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              28096
_journal_page_last               22902
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Li O5 P V'
_chemical_name_systematic        'Li ((V O) (P O4))'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.2797
_cell_length_b                   6.2797
_cell_length_c                   4.4423
_cell_volume                     175.180
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Dupre_JSSCBI_2004_1818.cif
_cod_data_source_block           Li1O5P1V1
_cod_original_cell_volume        175.1805
_cod_original_formula_sum        'Li1 O5 P1 V1'
_cod_database_code               1533105
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,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
P1 P+5 0.25 0.75 0.5 1 0.0
Li1 Li+1 -0.024 0.524 0.034 0.25 0.0
O2 O-2 0.25 0.9491 0.2923 1 0.0
O1 O-2 0.25 0.25 0.7835 1 0.0
V1 V+4 0.25 0.25 0.42 1 0.0
