Materials Data on NdLuSe3 by Materials Project
LuNdSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two shorter (2.74 Å) and four longer (2.83 Å) Lu–Se bond lengths. Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.93–3.40 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Lu3+ and two equivalent Nd3+ atoms to form distorted corner-sharing SeNd2Lu2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Lu3+ and three equivalent Nd3+ atoms.