Materials Data on Pr2NiB10 by Materials Project

Abstract

Pr2NiB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pr4+ is bonded in a 4-coordinate geometry to twenty B+1.20- atoms. There are a spread of Pr–B bond distances ranging from 2.91–3.02 Å. Ni4+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are six shorter (2.13 Å) and two longer (2.17 Å) Ni–B bond lengths. There are four inequivalent B+1.20- sites. In the first B+1.20- site, B+1.20- is bonded in a 9-coordinate geometry to four equivalent Pr4+, one Ni4+, and four B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.69–1.78 Å. In the second B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Pr4+ and five B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.68–1.77 Å. In the third B+1.20- site, B+1.20- is bonded in a 9-coordinate geometry to four equivalent Pr4+, one Ni4+, and four B+1.20- atoms. Both B–B bond lengths are 1.78 Å. In the fourth B+1.20- site, B+1.20- is bonded in a 9-coordinate geometry to four equivalent Pr4+, one Ni4+, and four B+1.20- atoms. The B–B bond length is 1.68 Å.