Materials Data on Nd(Co2B)6 by Materials Project
NdCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Nd–B bond lengths are 3.05 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. All Co–B bond lengths are 2.04 Å. In the second Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. B3- is bonded in a 7-coordinate geometry to one Nd3+ and seven Co+1.25+ atoms.