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The crystal structure of Zr2NiD4

Identifieur interne : 00D135 ( Main/Exploration ); précédent : 00D134; suivant : 00D136

The 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 :

RBID : ISTEX:BF04575A1A2E98A6DB2E07CC6D85B6FFA0736C1F

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English descriptors

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>Lattice parameters</term>
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<term>Neutron data</term>
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<term>Neutron wavelength</term>
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<term>Room temperature neutron diffraction pattern</term>
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<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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