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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/4/34/39/4343918.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_4343918
loop_
_publ_author_name
'Sivakumar, T.'
'Ok, K.M.'
'Halasyamani, P.S.'
_publ_section_title
;
 Synthesis, structure, and characterization of novel two- and
 three-dimensional vanadates: Ba2.5 (V O2)3 (Se O3)4 . H2 O and La (V O2)2
 (Te O6) . 3H2 O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3602
_journal_page_last               3605
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'H6 La O15 Te V3'
_chemical_name_systematic        'La (V O2)3 (Te O6) (H2 O)3'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.4577
_cell_length_b                   9.4577
_cell_length_c                   23.455
_cell_volume                     1816.926
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Sivakumar_INOCAJ_2006_772.cif
_cod_data_source_block           H6La1O15Te1V3
_cod_original_formula_sum        'H6 La1 O15 Te1 V3'
_cod_database_code               4343918
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
O4 O-2 0.475 0.3251 0.1328 1 0.0
O2 O-2 0.1477 0.5428 0.1687 1 0.0
O5 O-2 0.8579 0.5252 -0.0188 1 0.0
Te1 Te+6 0.3333 0.6667 0.12215 1 0.0
O1 O-2 0.6004 0.456 0.242 1 0.0
V1 V+5 0.44581 0.41079 0.18903 1 0.0
La1 La+3 0.6667 0.3333 0.05642 1 0.0
O3 O-2 0.2671 0.2799 0.2148 1 0.0
