#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/86/1538665.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_1538665
loop_
_publ_author_name
'Khitrova, V.I.'
'Klechkovskaya, V.V.'
'Pinsker, Z.G.'
_publ_section_title
;
 Electron diffraction study of tantalum dioxide in thin films
;
_journal_name_full
'Soviet Physics, Crystallography (= Kristallografiya)'
_journal_page_first              907
_journal_page_last               912
_journal_volume                  12
_journal_year                    1967
_chemical_formula_sum            'O2 Ta'
_chemical_name_systematic        'Ta O2'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   13.32
_cell_length_b                   13.32
_cell_length_c                   6.12
_cell_volume                     1085.825
_citation_journal_id_ASTM        SPHCA6
_cod_data_source_file            Khitrova_SPHCA6_1967_1199.cif
_cod_data_source_block           O2Ta1
_cod_original_sg_symbol_Hall     '-I 4ad (x,y+1/4,z+1/8)'
_cod_original_formula_sum        'O2 Ta1'
_cod_database_code               1538665
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/4
-x+1/2,-y+1/2,z+1/2
y+1/2,-x,z+3/4
-x,-y+1/2,-z+1/4
y,-x,-z
x-1/2,y,-z-1/4
-y-1/2,x+1/2,-z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1,z+3/4
-x+1,-y+1,z+1
y+1,-x+1/2,z+5/4
-x+1/2,-y+1,-z+3/4
y+1/2,-x+1/2,-z+1/2
x,y+1/2,-z+1/4
-y,x+1,-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
O4 O-2 0.274 0.125 0.5 1 0.0
Ta1 Ta+4 0.124 0.125 0.499 1 0.0
O3 O-2 0.275 0.125 0 1 0.0
O2 O-2 0.975 0.125 0.5 1 0.0
O1 O-2 0.975 0.125 0 1 0.0
Ta2 Ta+4 0.126 0.125 0.001 1 0.0
