Materials Data on HfGeTe4 by Materials Project

Abstract

HfGeTe4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four HfGeTe4 ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded to seven Te2- atoms to form distorted face-sharing HfTe7 pentagonal bipyramids. There are a spread of Hf–Te bond distances ranging from 2.96–3.06 Å. Ge4+ is bonded in a 3-coordinate geometry to three Te2- atoms. There are two shorter (2.72 Å) and one longer (2.75 Å) Ge–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Ge4+ atom. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Ge4+ atoms. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ atoms. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Hf4+ atoms.