Materials Data on Nd4Te7 by Materials Project

Abstract

Nd4Te7 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are four inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te+1.71- atoms. There are four shorter (3.26 Å) and four longer (3.40 Å) Nd–Te bond lengths. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Te+1.71- atoms. There are a spread of Nd–Te bond distances ranging from 3.24–3.38 Å. In the third Nd3+ site, Nd3+ is bonded in a 5-coordinate geometry to five Te+1.71- atoms. There are one shorter (3.11 Å) and four longer (3.13 Å) Nd–Te bond lengths. In the fourth Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Te+1.71- atoms. There are one shorter (3.27 Å) and eight longer (3.34 Å) Nd–Te bond lengths. There are five inequivalent Te+1.71- sites. In the first Te+1.71- site, Te+1.71- is bonded in a 4-coordinate geometry to four Nd3+ atoms. In the second Te+1.71- site, Te+1.71- is bonded in a 8-coordinate geometry to four Nd3+ atoms. In the third Te+1.71- site, Te+1.71- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing TeNd5 trigonal bipyramids. In the fourth Te+1.71- site, Te+1.71- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the fifth Te+1.71- site, Te+1.71- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing TeNd5 trigonal bipyramids.