ChemInform Abstract: The Crystal Structure of Nb3AuHx

Autor:	A.I. Latynin, R. Wordel, V.E. Antonov, B. Dorner, G. Grosse, V. K. Fedotov, F. E. Wagner, E.L. Bokhenkov
Rok vydání:	2010
Předmět:	Diffraction Hydrogen Neutron diffraction Alloy chemistry.chemical_element General Medicine Crystal structure engineering.material Crystallography chemistry Formula unit engineering Neutron Metal lattice
Zdroj:	ChemInform. 29
ISSN:	1522-2667 0931-7597
DOI:	10.1002/chin.199818007
Popis:	The A15 alloy Nb 3 Au and its hydrides Nb 3 AuH x with x =2.9 and x =4.2 prepared at high hydrogen pressures were studied by neutron and X-ray diffraction. Their crystal structures were refined using the Rietveld method. Neutron diffraction showed that in both hydrides the hydrogen atoms occupy approximately 2.6 interstitial d sites of the 3 available per formula unit in the A15 metal lattice. The remaining hydrogen fills i sites. The X-ray examination revealed that the metal lattice of the Nb 3 Au alloy and its hydrides was partly disordered, with 8±1% of the regular Au positions randomly occupied by Nb. This atomic disorder is shown to be the cause of the observed maximum occupancy of d sites in the hydrides.
Databáze:	OpenAIRE
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