The crystal structure of Zr2NiD4
Identifieur interne : 00D135 ( Main/Exploration ); précédent : 00D134; suivant : 00D136The crystal structure of Zr2NiD4
Auteurs : M. M. Elcombe [Australie] ; S. J. Campbell [Australie] ; C. J. Howard [Australie] ; H. G. Büttner [France] ; F. Aubertin [Allemagne]Source :
- Journal of Alloys and Compounds [ 0925-8388 ] ; 1996.
Descripteurs français
- Pascal (Inist)
English descriptors
- KwdEn :
- Aubertin, Cell parameters, Crystal structure, Crystallographic site, Deuterides, Deuterium, Deuterium atoms, Diffraction pattern, Diffraction pattern analysis, Experimental study, Formula unit, Good agreement, Hydride, Hydrogen atoms, Hydrogen concentrations, Hydrogen site occupation, Interatomic distances, Intermetallic compound, Lattice, Lattice expansion, Lattice parameters, Lower symmetry, Lucas heights research laboratories, Metal atoms, Monoclinic structure, Neutron, Neutron data, Neutron diffraction, Neutron wavelength, Nickel hydrides, Program shelxs, Room temperature, Room temperature neutron diffraction pattern, Similar compositions, Site occupation, Small amount, Space group, Space groups, Technology organisation, Ternary compounds, Tetragonal, Tetragonal structure, Tetrahedron, Unit cell, Unit cell parameters, Zirconium hydrides.
- Teeft :
- Aubertin, Cell parameters, Crystal structure, Deuterium, Deuterium atoms, Diffraction pattern, Formula unit, Good agreement, Hydride, Hydrogen atoms, Hydrogen concentrations, Hydrogen site occupation, Interatomic distances, Intermetallic compound, Lattice, Lattice expansion, Lattice parameters, Lower symmetry, Lucas heights research laboratories, Metal atoms, Monoclinic structure, Neutron, Neutron data, Neutron diffraction, Neutron wavelength, Program shelxs, Room temperature, Room temperature neutron diffraction pattern, Similar compositions, Site occupation, Small amount, Space group, Technology organisation, Tetragonal, Tetragonal structure, Tetrahedron, Unit cell, Unit cell parameters.
Abstract
Abstract: The crystal structure of Zr2NiD4 at room temperature has been investigated by high resolution neutron powder diffraction. The diffraction pattern has been successfully fitted on the basis of a monoclinic structure in space group I2/c with cell parameters a = 0.6789 nm, b = 0.6758 nm, c = 0.5675 nm, β = 91.04° relative to the neutron wavelength of 0.1893(1) nm. The site occupancies of the deuterium atoms are compared with model calculations and results from previous X-ray and neutron data from Zr2Ni hydrides and deuterides of similar compositions based on the similar tetragonal CuAl2-type structure of Zr2Ni.
Url:
DOI: 10.1016/0925-8388(95)01966-9
Affiliations:
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Le document en format XML
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<term>Deuterium</term>
<term>Deuterium atoms</term>
<term>Diffraction pattern</term>
<term>Diffraction pattern analysis</term>
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<term>Lattice expansion</term>
<term>Lattice parameters</term>
<term>Lower symmetry</term>
<term>Lucas heights research laboratories</term>
<term>Metal atoms</term>
<term>Monoclinic structure</term>
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<term>Neutron data</term>
<term>Neutron diffraction</term>
<term>Neutron wavelength</term>
<term>Nickel hydrides</term>
<term>Program shelxs</term>
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<term>Hydrogen concentrations</term>
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<term>Lattice expansion</term>
<term>Lattice parameters</term>
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<term>Monoclinic structure</term>
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<term>Neutron wavelength</term>
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<term>Room temperature neutron diffraction pattern</term>
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<term>Site occupation</term>
<term>Small amount</term>
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<term>Tetragonal structure</term>
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<front><div type="abstract" xml:lang="en">Abstract: The crystal structure of Zr2NiD4 at room temperature has been investigated by high resolution neutron powder diffraction. The diffraction pattern has been successfully fitted on the basis of a monoclinic structure in space group I2/c with cell parameters a = 0.6789 nm, b = 0.6758 nm, c = 0.5675 nm, β = 91.04° relative to the neutron wavelength of 0.1893(1) nm. The site occupancies of the deuterium atoms are compared with model calculations and results from previous X-ray and neutron data from Zr2Ni hydrides and deuterides of similar compositions based on the similar tetragonal CuAl2-type structure of Zr2Ni.</div>
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