TaNbCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form TaC3N3 octahedra that share corners with six equivalent Nb(1)C3N3 octahedra, edges with six equivalent Ta(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. Nb(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form NbC3N3 octahedra that share corners with six equivalent Ta(1)C3N3 octahedra, edges with six equivalent Ta(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. C(1) is bonded to three equivalent Ta(1) and three equivalent Nb(1) atoms to form CTa3Nb3 octahedra that share corners with six equivalent N(1)Ta3Nb3 octahedra, edges with six equivalent C(1)Ta3Nb3 octahedra, and edges with six equivalent N(1)Ta3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. N(1) is bonded to three equivalent Ta(1) and three equivalent Nb(1) atoms to form NTa3Nb3 octahedra that share corners with six equivalent C(1)Ta3Nb3 octahedra, edges with six equivalent C(1)Ta3Nb3 octahedra, and edges with six equivalent N(1)Ta3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°.
TaNbCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form TaC3N3 octahedra that share corners with six equivalent Nb(1)C3N3 octahedra, edges with six equivalent Ta(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. All Ta(1)-C(1) bond lengths are 2.17 Å. All Ta(1)-N(1) bond lengths are 2.26 Å. Nb(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form NbC3N3 octahedra that share corners with six equivalent Ta(1)C3N3 octahedra, edges with six equivalent Ta(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. All Nb(1)-C(1) bond lengths are 2.19 Å. All Nb(1)-N(1) bond lengths are 2.35 Å. C(1) is bonded to three equivalent Ta(1) and three equivalent Nb(1) atoms to form CTa3Nb3 octahedra that share corners with six equivalent N(1)Ta3Nb3 octahedra, edges with six equivalent C(1)Ta3Nb3 octahedra, and edges with six equivalent N(1)Ta3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. N(1) is bonded to three equivalent Ta(1) and three equivalent Nb(1) atoms to form NTa3Nb3 octahedra that share corners with six equivalent C(1)Ta3Nb3 octahedra, edges with six equivalent C(1)Ta3Nb3 octahedra, and edges with six equivalent N(1)Ta3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 3-5°.