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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/1/52/20/1522038.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_1522038
loop_
_publ_author_name
'Titov, Yu.A.'
'Belyavina, N.M.'
'Sych, A.M.'
'Sokolov, A.N.'
'Markiv, V.Ya.'
'Kapshuk, A.A.'
_publ_section_title
;
 Crystal structure of the high-pressure modification of Nd Ta O4
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              252
_journal_page_last               255
_journal_volume                  311
_journal_year                    2000
_chemical_formula_sum            'Nd O4 Ta'
_chemical_name_systematic        'Nd (Ta O4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.032
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.592
_cell_length_b                   5.4673
_cell_length_c                   7.7022
_cell_volume                     314.813
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Titov_JALCEU_2000_1434.cif
_cod_data_source_block           Nd1O4Ta1
_cod_original_cell_volume        314.8129
_cod_original_formula_sum        'Nd1 O4 Ta1'
_cod_database_code               1522038
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
O1 O-2 0.1525 0.1093 0.0644 1 0.0
O4 O-2 0.3558 -0.0063 0.3789 1 0.0
Ta1 Ta+5 0.1677 0.2665 0.3081 1 0.0
O2 O-2 0.0743 0.6305 0.2177 1 0.0
Nd1 Nd+3 0.3462 0.7746 0.101 1 0.0
O3 O-2 0.3971 0.4334 0.288 1 0.0
