Materials Data on Nb4Co2C by Materials Project
Nb4Co2C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All Nb–Co bond lengths are 2.51 Å. In the second Nb site, Nb is bonded in a distorted bent 150 degrees geometry to four equivalent Co and two equivalent C atoms. There are two shorter (2.82 Å) and two longer (3.03 Å) Nb–Co bond lengths. Both Nb–C bond lengths are 2.19 Å. Co is bonded in a 12-coordinate geometry to nine Nb and three equivalent Co atoms. All Co–Co bond lengths are 2.64 Å. C is bonded to six equivalent Nb atoms to form corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 39°.
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