Materials Data on TiC3 by Materials Project
C3Ti1 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ti4+ is bonded to six C+1.33- atoms to form corner-sharing TiC6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.10 Å) and four longer (2.38 Å) Ti–C bond lengths. There are two inequivalent C+1.33- sites. In the first C+1.33- site, C+1.33- is bonded in a linear geometry to two equivalent Ti4+ atoms. In the second C+1.33- site, C+1.33- is bonded in a distorted square co-planar geometry to two equivalent Ti4+ and two equivalent C+1.33- atoms. Both C–C bond lengths are 1.30 Å.
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