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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/2/10/71/2107142.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107142
loop_
_publ_author_name
'Rotella, F.J.'
'Jorgensen, J.D.'
'Biefeld, R.M.'
'Morosin, B.'
_publ_section_title
;
 Location of deuterium sites in the defect pyrochlore D Ta W O6 from
 neutron powder diffraction data
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1697
_journal_page_last               1703
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'D O6 Ta W'
_chemical_name_systematic        'D Ta W O6'
_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                   10.4281
_cell_length_b                   10.4281
_cell_length_c                   10.4281
_cell_volume                     1134.007
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Rotella_ACBCAR_1982_304.cif
_cod_data_source_block           D1O6Ta1W1
_cod_original_cell_volume        1134.006
_cod_original_formula_sum        'D1 O6 Ta1 W1'
_cod_database_code               2107142
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z,x,y
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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
W1 W+6 0 0 0 0.5 0.0
O1 O-2 0.31008 0.125 0.125 1 0.0
Ta1 Ta+5 0 0 0 0.5 0.0
D1 D+1 0.4083 0.125 0.125 0.167 0.0
