The Crystal Structures of Zr5Te4and Zr3Te

In the zirconium-rich part of the Zr–Te system the stoichiometric compounds Zr5Te4and Zr3Te exist. The crystal structures of both compounds have been investigated. The crystal structure of Zr5Te4has been resolved by Rietveld refinement of neutron powder diffraction data. It has a tetragonal body-centered unit cell with lattice parametersa=1.07649(6) nm,c=0.38403(3) nm, spacegroupI4/m, and is isostructural with Ti5Te4. The profile agreement factors areRp=4.38%,Rwp=5.91% andS=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 parametersa=1.13382(6) nm andc=0.56265(5) nm, spacegroup I4, isostructural with Ni3P, with profile agreement factorsRp=12.5,Rwp=13.6% andS=1.06. The structural similarities between both compounds are discussed.