Materials Data on Eu2H3Cl by Materials Project

Abstract

Eu2H3Cl crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded in a 4-coordinate geometry to seven H1- and three equivalent Cl1- atoms. There are a spread of Eu–H bond distances ranging from 2.35–2.70 Å. All Eu–Cl bond lengths are 3.10 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Eu2+ atoms to form HEu4 trigonal pyramids that share corners with three equivalent HEu6 octahedra, corners with six equivalent ClEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with three equivalent ClEu6 octahedra, edges with three equivalent HEu4 trigonal pyramids, and faces with three equivalent HEu6 octahedra. The corner-sharing octahedra tilt angles range from 33–48°. In the second H1- site, H1- is bonded to six equivalent Eu2+ atoms to form HEu6 octahedra that share corners with twelve equivalent ClEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with six equivalent HEu6 octahedra, faces with two equivalent ClEu6 octahedra, and faces with six equivalent HEu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. Cl1- is bonded to six equivalent Eu2+ atoms to form ClEu6 octahedra that share corners with twelve equivalent HEu6 octahedra, corners with twelve equivalent HEu4 trigonal pyramids, edges with six equivalent ClEu6 octahedra, edges with six equivalent HEu4 trigonal pyramids, and faces with two equivalent HEu6 octahedra. The corner-sharing octahedral tilt angles are 49°.