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#$Date: 2015-10-15 01:16:05 +0300 (Thu, 15 Oct 2015) $
#$Revision: 169128 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539997.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_1539997
loop_
_publ_author_name
'Zibrov, I.P.'
'Filonenko, V.P.'
'Drobot, D.V.'
'Nikishina, E.E.'
_publ_section_title
;
 Structure of high-pressure hydroxide Ta2 O5 2/3(H2 O) and a derivative
 metastable oxide Ta2 O5
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              543
_journal_page_last               550
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'H1.334 O5.667 Ta2'
_chemical_name_systematic        'Ta2 O5 (H2 O)0.667'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   10.90386
_cell_length_b                   7.27736
_cell_length_c                   6.85289
_cell_volume                     543.786
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Zibrov_ZNOKAQ_2003_450.cif
_cod_data_source_block           H1.334O5.667Ta2
_cod_original_cell_volume        543.7858
_cod_database_code               1539997
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Ta1 Ta+5 0.22911 0.23244 0 1 0.0
O2 O-2 0.1864 0.4977 0 1 0.0
O1 O-2 0.1468 0.1915 0.2909 0.902 0.0
O3 O-2 0.0577 0.1344 0 0.952 0.0
O4 O-2 0 0.5 0.25 1 0.0
Ta2 Ta+5 0 0 0.25 1 0.0
