Materials Data on NbNiB by Materials Project
NbNiB crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NbNiB sheets oriented in the (0, 1, 0) direction. Nb2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are four shorter (2.41 Å) and two longer (2.42 Å) Nb–B bond lengths. Ni1+ is bonded in a single-bond geometry to one B3- atom. The Ni–B bond length is 2.28 Å. B3- is bonded in a 9-coordinate geometry to six equivalent Nb2+, one Ni1+, and two equivalent B3- atoms. Both B–B bond lengths are 1.79 Å.
36 MATERIALS SCIENCE↗