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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/91/1539124.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_1539124
loop_
_publ_author_name
'Stephenson, N.C.'
'Roth, R.S.'
_publ_section_title
;
 The crystal structure of the high temperature form of Ta2 O2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              145
_journal_page_last               153
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'O5 Ta2'
_chemical_name_systematic        'Ta2 O5'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   3.81
_cell_length_b                   3.81
_cell_length_c                   35.76399
_cell_volume                     519.154
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Stephenson_JSSCBI_1971_343.cif
_cod_data_source_block           O5Ta2
_cod_original_cell_volume        519.1536
_cod_original_sg_symbol_Hall     'C 2y (x,y,-x+z)'
_cod_database_code               1539124
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,z+1/2
-x+1/2,y+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
O8 O-2 0.005 0.996 0.1122 1 0.0
Ta1 Ta+5 0.005 -0.00597 0.04568 1 0.0
O3 O-2 0.429 0.492 0.1383 1 0.0
Ta2 Ta+5 -0.0022 0.49419 0.12514 1 0.0
O1 O-2 0.933 0.501 0.1809 1 0.0
O7 O-2 0.136 0.25 0 0.5 0.0
O2 O-2 0.969 0.488 0.0712 1 0.0
O5 O-2 0.458 -0.006 0.1964 1 0.0
Ta3 Ta+5 0.4813 0.49882 0.20453 1 0.0
O4 O-2 0.544 -0.007 0.0526 1 0.0
O6 O-2 0.146 0.487 0.242 1 0.0
