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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/1/52/70/1527020.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_1527020
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            'B0.248 D7.89 O0.372 V3 Zr3'
_chemical_name_systematic        'Zr3 V3 B0.248 O0.372 D7.89'
_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                   12.725
_cell_length_b                   12.725
_cell_length_c                   12.725
_cell_volume                     2060.504
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Yartys_JALCEU_2001_1230.cif
_cod_data_source_block           D7.89B0.248O0.372V3Zr3
_cod_original_formula_sum        'D7.89 B0.248 O0.372 V3 Zr3'
_cod_database_code               1527020
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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
Zr1 Zr 0.5648 0.375 0.375 1 0.0
O2 O 0.5 0.5 0.5 0.072 0.0
B2 B 0.5 0.5 0.5 0.048 0.0
D3 D 0.3497 0.3497 0.0321 0.4 0.0
D1 D 0.125 0.249 0.312 0.069 0.0
V1 V 0 0 0 1 0.0
D2 D 0.2775 0.2775 0.6502 0.777 0.0
V2 V 0.211 0.211 0.211 1 0.0
O1 O 0.875 0.375 0.875 0.6 0.0
B1 B 0.875 0.375 0.875 0.4 0.0
