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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/1/52/19/1521947.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_1521947
loop_
_publ_author_name
'Skripov, A.V.'
'Udovic, T.J.'
'Huang, Q.'
'Cook, J.C.'
'Kozhanov, V.N.'
_publ_section_title
;
 Neutron diffraction study of the location of deuterium in the
 deuterium-stabilized Zr Ti2 D3.83 phase
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              234
_journal_page_last               237
_journal_volume                  311
_journal_year                    2000
_chemical_formula_sum            'D3.896 Ti2 Zr'
_chemical_name_systematic        'Zr Ti2 D3.896'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.1551
_cell_length_b                   8.1551
_cell_length_c                   8.1551
_cell_volume                     542.360
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Skripov_JALCEU_2000_1432.cif
_cod_data_source_block           D3.896Ti2Zr1
_cod_original_cell_volume        542.3602
_cod_original_formula_sum        'D3.896 Ti2 Zr1'
_cod_database_code               1521947
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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
D1 D 0.26883 0.26883 0.26883 0.809 0.0
Ti1 Ti 0.5 0.5 0.5 1 0.0
D2 D 0.0565 0.0565 0.8864 0.055 0.0
Zr1 Zr 0.125 0.125 0.125 1 0.0
