Materials Data on Nd2NiB10 by Materials Project

Abstract

Nd2NiB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd+2.50+ is bonded in a 4-coordinate geometry to twenty B+0.60- atoms. There are a spread of Nd–B bond distances ranging from 2.88–3.02 Å. Ni1+ is bonded in a 8-coordinate geometry to eight B+0.60- atoms. There are a spread of Ni–B bond distances ranging from 2.12–2.16 Å. There are four inequivalent B+0.60- sites. In the first B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.69–1.79 Å. In the second B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+ and five B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.68–1.76 Å. In the third B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There is one shorter (1.68 Å) and one longer (1.78 Å) B–B bond length. In the fourth B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms.