Materials Data on Nd2CuTe4 by Materials Project

Abstract

Nd2CuTe4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Nd–Te bond distances ranging from 3.23–3.61 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Nd–Te bond distances ranging from 3.15–3.58 Å. Cu2+ is bonded to four Te2- atoms to form distorted corner-sharing CuTe4 trigonal pyramids. There are a spread of Cu–Te bond distances ranging from 2.61–2.77 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four Nd3+ and two equivalent Cu2+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to four Nd3+ and one Cu2+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to four Nd3+ and one Cu2+ atom. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to four Nd3+ atoms.