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Ho2C is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ho2C sheets oriented in the (0, 0, 1) direction. Ho is bonded in a distorted T-shaped geometry to three equivalent C atoms. All Ho–C bond lengths are 2.46 Å. C is bonded to six equivalent Ho atoms to form edge-sharing CHo6 octahedra.
Ho2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Ho–N bond lengths are 2.57 Å. There are three shorter (2.23 Å) and one longer (2.29 Å) Ho–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 Ho3+ and one C4+ atom. O2- is bonded to four equivalent Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra.