Phase relations in the Ti3Sn–D system
2004 (English)In: Journal of Alloys and Compounds, ISSN 0925-8388, Vol. 364, no 1-2, 127-131 p.Article in journal (Refereed) Published
Ti3Sn forms an orthorhombic metal hydride phase at 25-kPa deuterium pressure and 650 °C. The unit cell parameters were determined to be a=6.179(1) Å, b=9.877(2) Å and c=4.7898(6) Å and the space group to beC2221. The crystal structure was determined from neutron powder diffraction data with the Rietveld method. Three phases are formed in the Ti3Sn–D system upon hydrogenation, and appear in the following order at increasing deuterium pressures: an orthorhombic structure (Ti3SnD0.80), a hexagonal phase and a cubic metal hydride phase (Ti3SnD). The cubic phase, Ti3SnD, crystallises in the CaTiO3-type structure, space group Pm3m, with the unit cell parameter a=4.1776(2) Å. The stability of the three Ti3SnDx phases is in agreement with calculated total energies, based on first principles theory.
Place, publisher, year, edition, pages
2004. Vol. 364, no 1-2, 127-131 p.
Transition metal compounds; Metal hydrides; Crystal structure; Neutron diffraction
Inorganic Chemistry Physical Sciences
IdentifiersURN: urn:nbn:se:uu:diva-92693DOI: 10.1016/S0925-8388(03)00494-8OAI: oai:DiVA.org:uu-92693DiVA: diva2:165864