Materials Data on HoUTe6 by Materials Project

Abstract

UHoTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UHoTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.16–3.24 Å. Ho3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are six shorter (3.25 Å) and three longer (3.27 Å) Ho–Te bond lengths. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Ho3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Ho3+ atom. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms.