Materials Data on Yb(Ga4Co)2 by Materials Project

Abstract

Yb(CoGa4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Yb–Ga bond distances ranging from 3.04–3.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.33–2.62 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.35–2.63 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.87 Å. In the second Ga site, Ga is bonded in a distorted linear geometry to two equivalent Yb, two equivalent Co, and eight Ga atoms. There are four shorter (2.78 Å) and four longer (2.89 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Co and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.71 Å. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.59–3.00 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Ga atoms. There are one shorter (2.77 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Ga atoms. There are one shorter (2.60 Å) and three longer (3.02 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.83 Å. In the eighth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and five Ga atoms. In the ninth Ga site, Ga is bonded in a 1-coordinate geometry to three Co and four Ga atoms.