Materials Data on Ni3B by Materials Project
Ni3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 3-coordinate geometry to three equivalent B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.30 Å. In the second Ni1+ site, Ni1+ is bonded in a distorted bent 150 degrees geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.02 Å. B3- is bonded in a 6-coordinate geometry to eight Ni1+ atoms.
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