Materials Data on Er2B6Rh by Materials Project

Abstract

Er2RhB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to three equivalent Rh and fourteen B atoms. There are a spread of Er–Rh bond distances ranging from 3.06–3.17 Å. There are a spread of Er–B bond distances ranging from 2.72–2.80 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to two equivalent Rh and twelve B atoms. There are one shorter (2.85 Å) and one longer (2.87 Å) Er–Rh bond lengths. There are a spread of Er–B bond distances ranging from 2.60–2.62 Å. Rh is bonded in a 12-coordinate geometry to five Er and ten B atoms. There are a spread of Rh–B bond distances ranging from 2.35–2.41 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Er and three B atoms. There are a spread of B–B bond distances ranging from 1.78–2.14 Å. In the second B site, B is bonded in a 9-coordinate geometry to four Er, two equivalent Rh, and three B atoms. There is one shorter (1.74 Å) and one longer (1.82 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Er, two equivalent Rh, and three B atoms. There are a spread of B–B bond distances ranging from 1.79–1.81 Å. In the fourth B site, B is bonded in a 9-coordinate geometry to four Er, two equivalent Rh, and three B atoms. The B–B bond length is 1.83 Å. In the fifth B site, B is bonded in a 9-coordinate geometry to four Er, two equivalent Rh, and three B atoms. The B–B bond length is 1.83 Å. In the sixth B site, B is bonded in a 9-coordinate geometry to four Er, two equivalent Rh, and three B atoms.