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Crystal chemistry a...
Crystal chemistry and thermodynamic properties of anisotropic Ce2Ni7H4.7 hydride
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Denys, R. V. (författare)
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Yartys, V. A. (författare)
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Sato, Masashi (författare)
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Riabov, A. B. (författare)
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- Delaplane, R. G. (författare)
- Uppsala universitet,Neutronforskningslaboratoriet i Studsvik
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(creator_code:org_t)
- Elsevier BV, 2007
- 2007
- Engelska.
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Ingår i: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 180:9, s. 2566-2576
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- A new intermetallic deuteride Ce2Ni7D4.7 with an anomalous volume expansion has been studied. Its structure was solved on the basis of in situ neutron diffraction data. Expansion proceeds along the c-axis and within the CeNi2 slabs only. All D atoms are located inside these slabs and on the border between CeNi2 and CeNi5. Ordering of D atoms in the bulk of CeNi2 is accompanied by substantial deformation of these slabs thus lowering the hexagonal symmetry to orthorhombic [space group Pmcn (No. 62); a = 4.9251(3) angstrom b = 8.4933(4) angstrom, c = 29.773(1) angstrom]. Inside the CeNi2 layer the hydrogen sublattice is completely ordered; all D-D distances exceed 2.0 angstrom Local coordination of Ni by D inside the CeNi, blocks is of "open", saddle-like type. Hydrogen ordering is mainly determined by Ce-H and H-H interactions. The press ure-composition-temperature measurements yielded the following thermodynamic parameters of the formation of the hydride: Delta H = -22.4 kJ/MOl(H), Delta S = -59.9 J/(K mol(H)).
Nyckelord
- metal hydrides
- crystal structure and symmetry
- neutron diffraction
- pressure-composition-temperature relationships
- NATURAL SCIENCES
- NATURVETENSKAP
- TECHNOLOGY
- TEKNIKVETENSKAP
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