Materials Data on Lu2(NiB2)3 by Materials Project

Abstract

Lu2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Lu–B bond distances ranging from 2.70–2.73 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.10 Å) and four longer (2.15 Å) Ni–B bond lengths. In the second Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.20 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Ni2+, and three B2- atoms. There is one shorter (1.71 Å) and two longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Ni2+, and two B2- atoms. The B–B bond length is 1.72 Å.