Materials Data on CeMg6C by Materials Project

Abstract

Mg6CeC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a single-bond geometry to four Mg and one C atom. There are two shorter (2.97 Å) and two longer (3.09 Å) Mg–Mg bond lengths. The Mg–C bond length is 2.42 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg, two equivalent Ce, and two equivalent C atoms. There are a spread of Mg–Mg bond distances ranging from 2.73–3.23 Å. Both Mg–Ce bond lengths are 3.20 Å. Both Mg–C bond lengths are 2.83 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ce atoms. Both Mg–Mg bond lengths are 2.89 Å. Both Mg–Ce bond lengths are 3.23 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to four Mg atoms. Ce is bonded in a 2-coordinate geometry to six Mg and two equivalent C atoms. Both Ce–C bond lengths are 3.01 Å. C is bonded in a 8-coordinate geometry to six Mg and two equivalent Ce atoms.