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Yb2C crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Yb2C sheets oriented in the (0, 0, 1) direction. Yb2+ is bonded in a trigonal non-coplanar geometry to three equivalent C4- atoms. All Yb–C bond lengths are 2.53 Å. C4- is bonded to six equivalent Yb2+ atoms to form distorted edge-sharing CYb6 octahedra.
Yb2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Yb–N bond lengths are 2.63 Å. There are three shorter (2.25 Å) and one longer (2.28 Å) Yb–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Yb3+ and one C4+ atom. O2- is bonded to four equivalent Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra.