Materials Data on La4Te3N2 by Materials Project
La4N2Te3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted L-shaped geometry to two equivalent N3- and five Te2- atoms. There are one shorter (2.33 Å) and one longer (2.42 Å) La–N bond lengths. There are a spread of La–Te bond distances ranging from 3.40–3.60 Å. In the second La3+ site, La3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Te2- atoms. Both La–N bond lengths are 2.38 Å. There are a spread of La–Te bond distances ranging from 3.18–3.57 Å. In the third La3+ site, La3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four equivalent Te2- atoms. Both La–N bond lengths are 2.37 Å. There are two shorter (3.31 Å) and two longer (3.38 Å) La–Te bond lengths. N3- is bonded to four La3+ atoms to form NLa4 tetrahedra that share corners with four equivalent TeLa6 octahedra, an edgeedge with one TeLa6 octahedra, and edges with two equivalent NLa4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–65°. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six La3+ atoms. In the second Te2- site, Te2- is bonded to six La3+ atoms to form distorted TeLa6 octahedra that share corners with eight equivalent NLa4 tetrahedra, edges with two equivalent NLa4 tetrahedra, and faces with two equivalent TeLa6 octahedra.