Materials Data on TaNiB by Materials Project

Abstract

TaNiB crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to five equivalent Ni and six equivalent B atoms. There are one shorter (2.63 Å) and four longer (2.65 Å) Ta–Ni bond lengths. There are four shorter (2.40 Å) and two longer (2.42 Å) Ta–B bond lengths. Ni is bonded in a 10-coordinate geometry to five equivalent Ta, four equivalent Ni, and one B atom. All Ni–Ni bond lengths are 2.56 Å. The Ni–B bond length is 2.24 Å. B is bonded in a 9-coordinate geometry to six equivalent Ta, one Ni, and two equivalent B atoms. Both B–B bond lengths are 1.79 Å.