Materials Data on Nb10C7 by Materials Project

Nb10C7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Nb+2.80+ sites. In the first Nb+2.80+ site, Nb+2.80+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Nb–C bond distances ranging from 2.14–2.26 Å. In the second Nb+2.80+ site, Nb+2.80+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Nb–C bond distances ranging from 2.22–2.29 Å. In the third Nb+2.80+ site, Nb+2.80+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing NbC5 square pyramids. There are one shorter (2.13 Å) and four longer (2.25 Å) Nb–C bond lengths. There are four inequivalent C4- sites. In the first C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. In the second C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. In the third C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. In the fourth C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 3°.