Materials Data on Mg3Ga7Co2 by Materials Project

Abstract

Mg3Co2Ga7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Co and eight Ga atoms. There are one shorter (2.65 Å) and one longer (2.71 Å) Mg–Co bond lengths. There are a spread of Mg–Ga bond distances ranging from 2.83–3.19 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Co and eight Ga atoms. Both Mg–Co bond lengths are 2.70 Å. There are a spread of Mg–Ga bond distances ranging from 2.80–3.12 Å. Co is bonded in a 9-coordinate geometry to three Mg and six Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.40–2.52 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Co and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.90 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to four Mg, two equivalent Co, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.95 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four Mg, one Co, and four Ga atoms. There are one shorter (2.55 Å) and one longer (2.75 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to four Mg, two equivalent Co, and five Ga atoms. The Ga–Ga bond length is 2.64 Å.