Materials Data on LiEuPSe4 by Materials Project
LiEuPSe4 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are two shorter (2.54 Å) and two longer (2.76 Å) Li–Se bond lengths. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.01–3.51 Å. P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to one Li1+, two equivalent Eu2+, and one P5+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Eu2+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Eu2+, and one P5+ atom.