Materials Data on Nd(CrB3)2 by Materials Project

Abstract

B6Cr2Nd crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nd2+ is bonded in a 12-coordinate geometry to sixteen B1- atoms. There are a spread of Nd–B bond distances ranging from 2.83–2.96 Å. Cr2+ is bonded in a 10-coordinate geometry to ten B1- atoms. There are a spread of Cr–B bond distances ranging from 2.13–2.22 Å. There are two inequivalent B1- sites. In the first B1- site, B1- is bonded in a 6-coordinate geometry to three equivalent Nd2+, three equivalent Cr2+, and three B1- atoms. There is one shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. In the second B1- site, B1- is bonded in a 9-coordinate geometry to two equivalent Nd2+, four equivalent Cr2+, and three B1- atoms. The B–B bond length is 1.83 Å.