Materials Data on EuMgH4 by Materials Project

Abstract

MgEuH4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to six H1- atoms to form corner-sharing MgH6 octahedra. The corner-sharing octahedra tilt angles range from 17–49°. There are a spread of Mg–H bond distances ranging from 1.89–2.04 Å. Eu2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Eu–H bond distances ranging from 2.36–2.67 Å. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded in a 1-coordinate geometry to one Mg2+ and three equivalent Eu2+ atoms. In the second H1- site, H1- is bonded to one Mg2+ and three equivalent Eu2+ atoms to form distorted corner-sharing HEu3Mg trigonal pyramids. In the third H1- site, H1- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one Eu2+ atom. In the fourth H1- site, H1- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Eu2+ atoms.