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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/1/52/70/1527021.cif $
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#
# 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_1527021
loop_
_publ_author_name
'Yartys', V.A.'
'Riabov, A.B.'
'Hauback, B.C.'
_publ_section_title
;
 Neutron diffraction studies of Zr-containing intermetallic hydrides.
 Cubic Zr3 V3 B0.24 O0.36 D8.0 and Zr3 V3 B0.40 O0.60 D6.4 with filled
 eta1-type structures
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              92
_journal_page_last               97
_journal_volume                  317
_journal_year                    2001
_chemical_formula_sum            'B0.372 D5.944 O0.558 V3 Zr3'
_chemical_name_systematic        'Zr3 V3 B0.372 O0.558 D5.944'
_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            16
_cell_length_a                   12.623
_cell_length_b                   12.623
_cell_length_c                   12.623
_cell_volume                     2011.350
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Yartys_JALCEU_2001_1231.cif
_cod_data_source_block           D5.944B0.372O0.558V3Zr3
_cod_original_cell_volume        2011.35
_cod_original_formula_sum        'D5.944 B0.372 O0.558 V3 Zr3'
_cod_database_code               1527021
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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
D3 D 0.2853 0.2853 0.6521 0.348 0.0
V2 V 0.209 0.209 0.209 1 0.0
O1 O 0.875 0.375 0.875 0.156 0.0
O2 O 0.5 0.5 0.5 0.48 0.0
V1 V 0 0 0 1 0.0
B1 B 0.875 0.375 0.875 0.104 0.0
D4 D 0.341 0.341 0.017 0.108 0.0
B2 B 0.5 0.5 0.5 0.32 0.0
Zr1 Zr 0.5664 0.375 0.375 1 0.0
D2 D 0.1271 0.2331 0.3183 0.184 0.0
D1 D 0.2901 0.2901 0.2901 0.5 0.0
