Materials Data on Pr(CrB3)2 by Materials Project

Abstract

Pr(CrB3)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to sixteen B2- atoms. There are a spread of Pr–B bond distances ranging from 2.85–2.96 Å. Cr+4.50+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Cr–B bond distances ranging from 2.14–2.23 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 6-coordinate geometry to three equivalent Pr3+, three equivalent Cr+4.50+, and three B2- atoms. There is one shorter (1.77 Å) and two longer (1.80 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to two equivalent Pr3+, four equivalent Cr+4.50+, and three B2- atoms. The B–B bond length is 1.82 Å.