Materials Data on Ho3Te3N by Materials Project

Abstract

Ho3NTe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a distorted L-shaped geometry to two equivalent N3- and four Te2- atoms. There are one shorter (2.25 Å) and one longer (2.27 Å) Ho–N bond lengths. There are a spread of Ho–Te bond distances ranging from 3.19–3.39 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Ho–N bond length is 2.20 Å. There are a spread of Ho–Te bond distances ranging from 3.02–3.22 Å. In the third Ho3+ site, Ho3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Ho–N bond length is 2.20 Å. There are a spread of Ho–Te bond distances ranging from 3.04–3.29 Å. N3- is bonded to four Ho3+ atoms to form edge-sharing NHo4 tetrahedra. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five Ho3+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to five Ho3+ atoms.