Materials Data on Dy3Te3N by Materials Project

Abstract

Dy3NTe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ 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 (2.28 Å) Dy–N bond lengths. There are a spread of Dy–Te bond distances ranging from 3.20–3.39 Å. In the second Dy3+ site, Dy3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Dy–N bond length is 2.22 Å. There are a spread of Dy–Te bond distances ranging from 3.03–3.23 Å. In the third Dy3+ site, Dy3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Dy–N bond length is 2.22 Å. There are a spread of Dy–Te bond distances ranging from 3.06–3.31 Å. N3- is bonded to four Dy3+ atoms to form edge-sharing NDy4 tetrahedra. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Dy3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to five Dy3+ atoms.