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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/7/22/14/7221496.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_7221496
loop_
_publ_author_name
'Neiner, D.'
'Sweany, R.L.'
'Golub, V.'
'Wiley, J.B.'
_publ_section_title
;
 Structure and properties of mixed valence titanates, (Li(x) V O) La2 Ti3
 O10
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              186
_journal_page_last               191
_journal_volume                  16
_journal_year                    2006
_chemical_formula_sum            'La2 O10 Ti3 V'
_chemical_name_systematic        'Li1.8 (V O) La2 Ti3 O10'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.85
_cell_length_b                   3.85
_cell_length_c                   26.7861
_cell_volume                     397.037
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Neiner_JMACEP_2006_720.cif
_cod_data_source_block           La2O10Ti3V1
_cod_original_formula_sum        'La2 O10 Ti3 V1'
_cod_database_code               7221496
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
O1 O-2 0 0 0.0745 1 0.0
O2 O-2 0 0.5 0 1 0.0
O3 O-2 0 0 0.2319 1 0.0
Ti1 Ti+4 0 0 0 1 0.0
Ti2 Ti+4 0 0 0.1567 1 0.0
O4 O-2 0 0.5 0.1425 1 0.0
La1 La+3 0 0 0.4193 1 0.0
V1 V+2 0 0.5 0.25 0.5 0.0
