The crystal structures of Zr5Te4 and Zr3Te

摘要

In the zirconium-rich part of the Zr-Te system the stoichiometric compounds Zr5Te4 and Zr3Te exist. The crystal structures of both compounds have been investigated. The crystal structure of Zr5Te4 has been resolved by Rietveld refinement of neutron powder diffraction data. It has a tetragonal body-centered unit cell with lattice parameters a = 1.07649(6) nm, 0.38403(3) nm, spacegroup I4/m, and is isostructural with Ti5Te4. The profile agreement factors are R-p = 4.38%, R-wp = 5.91% and S = 2.22, The crystal structure of Zr3Te has been resolved by Rietveld refinement of the X-ray powder diffraction data, It has a tetragonal body-centered unit cell with lattice parameters a = 1.13382(6) nm and c = 0.56265(5) nm, spacegroup I (4) over bar, isostructural with Ni3P, with profile agreement factors R-p = 12.5, R-wp = 13.6% and S = 1.06, The structural similarities between both compounds are discussed. (C) 1998 Academic Press. [References: 23]