Materials Data on ErLu(B2Ru)2 by Materials Project

Abstract

LuEr(RuB2)2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Lu–B bond distances ranging from 2.59–2.94 Å. Er3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Er–B bond distances ranging from 2.61–2.95 Å. There are two inequivalent Ru3+ sites. In the first Ru3+ site, Ru3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Ru–B bond distances ranging from 2.23–2.26 Å. In the second Ru3+ site, Ru3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Ru–B bond distances ranging from 2.24–2.27 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Lu3+, two equivalent Er3+, three Ru3+, and two B3- atoms. There is one shorter (1.77 Å) and one longer (1.85 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Lu3+, two equivalent Er3+, three Ru3+, and two B3- atoms. The B–B bond length is 1.74 Å.