Materials Data on Yb2B6Rh by Materials Project

Abstract

Yb2RhB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to three equivalent Rh and fourteen B atoms. There are a spread of Yb–Rh bond distances ranging from 3.05–3.16 Å. There are a spread of Yb–B bond distances ranging from 2.75–2.87 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to two equivalent Rh and twelve B atoms. There are one shorter (2.78 Å) and one longer (2.80 Å) Yb–Rh bond lengths. There are a spread of Yb–B bond distances ranging from 2.57–2.61 Å. Rh is bonded in a 12-coordinate geometry to five Yb and ten B atoms. There are a spread of Rh–B bond distances ranging from 2.35–2.40 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Yb and three B atoms. There is one shorter (1.81 Å) and two longer (1.86 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four Yb, two equivalent Rh, and three B atoms. There is one shorter (1.72 Å) and one longer (1.77 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Yb, two equivalent Rh, and three B atoms. There are a spread of B–B bond distances ranging from 1.76–1.85 Å. In the fourth B site, B is bonded in a 9-coordinate geometry to four Yb, two equivalent Rh, and three B atoms. The B–B bond length is 1.86 Å. In the fifth B site, B is bonded in a 9-coordinate geometry to four Yb, two equivalent Rh, and three B atoms. The B–B bond length is 1.79 Å. In the sixth B site, B is bonded in a 9-coordinate geometry to four Yb, two equivalent Rh, and three B atoms.