Materials Data on NdUTe6 by Materials Project

Abstract

UNdTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UNdTe6 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 3.19–3.24 Å. Nd3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Nd–Te bond distances ranging from 3.28–3.36 Å. There are five inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Nd3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the second 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 3.11 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Nd3+ atom. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Nd3+ atoms. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Nd3+ and four equivalent Te1- atoms.