Materials Data on CaEu3 by Materials Project

Abstract

CaEu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Eu atoms to form CaEu12 cuboctahedra that share corners with six equivalent CaEu12 cuboctahedra, corners with twelve equivalent EuCa4Eu8 cuboctahedra, edges with eighteen equivalent EuCa4Eu8 cuboctahedra, faces with eight equivalent CaEu12 cuboctahedra, and faces with twelve equivalent EuCa4Eu8 cuboctahedra. All Ca–Eu bond lengths are 3.99 Å. Eu is bonded to four equivalent Ca and eight equivalent Eu atoms to form EuCa4Eu8 cuboctahedra that share corners with four equivalent CaEu12 cuboctahedra, corners with fourteen equivalent EuCa4Eu8 cuboctahedra, edges with six equivalent CaEu12 cuboctahedra, edges with twelve equivalent EuCa4Eu8 cuboctahedra, faces with four equivalent CaEu12 cuboctahedra, and faces with sixteen equivalent EuCa4Eu8 cuboctahedra. There are six shorter (3.98 Å) and two longer (4.01 Å) Eu–Eu bond lengths.