Materials Data on Co3B by Materials Project
Co3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a 3-coordinate geometry to three equivalent B3- atoms. There are two shorter (2.05 Å) and one longer (2.27 Å) Co–B bond lengths. In the second Co1+ site, Co1+ is bonded in a distorted bent 150 degrees geometry to two equivalent B3- atoms. There are one shorter (2.02 Å) and one longer (2.03 Å) Co–B bond lengths. B3- is bonded in a 6-coordinate geometry to eight Co1+ atoms.
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