Materials Data on Tb2EuSe4 by Materials Project

Abstract

EuTb2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Tb–Se bond distances ranging from 2.84–2.90 Å. In the second Tb3+ site, Tb3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Tb–Se bond distances ranging from 2.82–2.91 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.18–3.46 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tb3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Tb3+ and two equivalent Eu2+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three Tb3+ and two equivalent Eu2+ atoms. In the fourth Se2- site, Se2- is bonded to three equivalent Tb3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeTb3Eu2 square pyramids.