Materials Data on Mg14CoC by Materials Project

Abstract

Mg14CoC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg atoms. There are a spread of Mg–Mg bond distances ranging from 2.96–3.23 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.12–3.28 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to one Co and one C atom. The Mg–Co bond length is 2.86 Å. The Mg–C bond length is 2.23 Å. In the fourth Mg site, Mg is bonded in a 11-coordinate geometry to eleven Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.47 Å. In the fifth Mg site, Mg is bonded in a distorted single-bond geometry to two Mg, one Co, and one C atom. The Mg–Co bond length is 2.81 Å. The Mg–C bond length is 2.28 Å. In the sixth Mg site, Mg is bonded in a distorted single-bond geometry to three Mg and one Co atom. The Mg–Co bond length is 2.74 Å. In the seventh Mg site, Mg is bonded in a 1-coordinate geometry to four Mg and one Co atom. The Mg–Co bond length is 2.90 Å. Co is bonded in a 10-coordinate geometry to ten Mg atoms. C is bonded in a distorted pentagonal pyramidal geometry to six Mg atoms.