Materials Data on CeMg3 by Materials Project

Abstract

Mg3Ce crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and four equivalent Ce atoms. There are two shorter (3.18 Å) and four longer (3.37 Å) Mg–Mg bond lengths. There are two shorter (3.38 Å) and two longer (3.42 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and three equivalent Ce atoms. There are two shorter (3.18 Å) and four longer (3.40 Å) Mg–Mg bond lengths. There are one shorter (3.46 Å) and two longer (3.48 Å) Mg–Ce bond lengths. Ce is bonded to ten Mg and two equivalent Ce atoms to form a mixture of face, edge, and corner-sharing CeCe2Mg10 cuboctahedra. Both Ce–Ce bond lengths are 3.18 Å.