#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/32/1533223.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_1533223
loop_
_publ_author_name
'Neiner, D.'
'Golub, V.'
'Wiley, J.B.'
_publ_section_title
;
 Synthesis and characterization of the new layered perovskite, Na0.10 (V
 O4)0.45 La Ti O4 * n(H2 O)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1385
_journal_page_last               1392
_journal_volume                  39
_journal_year                    2004
_chemical_formula_sum            'La O4 Ti V0.45'
_chemical_name_systematic        'Na0.1 (V O)0.45 La (Ti O4) (H2 O)0.6'
_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                   3.7189
_cell_length_b                   3.7189
_cell_length_c                   12.2944
_cell_volume                     170.034
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Neiner_MRBUAC_2004_1923.cif
_cod_data_source_block           La1O4Ti1V0.45
_cod_original_cell_volume        170.0342
_cod_original_formula_sum        'La1 O4 Ti1 V0.45'
_cod_database_code               1533223
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
V1 V+4 0.25 0.75 0 0.45 0.0
Ti1 Ti+4 0.75 0.75 0.2031 1 0.0
O2 O-2 0.75 0.75 0.5821 1 0.0
O1 O-2 0.75 0.25 0.7596 1 0.0
O3 O-2 0.75 0.75 0.9426 1 0.0
La1 La+3 0.75 0.75 0.3815 1 0.0
