Materials Data on Tb4Te3N2 by Materials Project
Tb4N2Te3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a distorted L-shaped geometry to two N3- and four Te2- atoms. There are one shorter (2.25 Å) and one longer (2.28 Å) Tb–N bond lengths. There are a spread of Tb–Te bond distances ranging from 3.09–3.53 Å. In the second Tb3+ site, Tb3+ is bonded in a distorted L-shaped geometry to two N3- and four Te2- atoms. Both Tb–N bond lengths are 2.25 Å. There are a spread of Tb–Te bond distances ranging from 3.09–3.35 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Tb3+ atoms to form edge-sharing NTb4 tetrahedra. In the second N3- site, N3- is bonded to four Tb3+ atoms to form distorted edge-sharing NTb4 tetrahedra. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb3+ atoms.