ZrTaCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Zr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form ZrC3N3 octahedra that share corners with six equivalent Ta(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Ta(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. 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 Zr(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Ta(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. C(1) is bonded to three equivalent Zr(1) and three equivalent Ta(1) atoms to form CZr3Ta3 octahedra that share corners with six equivalent N(1)Zr3Ta3 octahedra, edges with six equivalent C(1)Zr3Ta3 octahedra, and edges with six equivalent N(1)Zr3Ta3 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. N(1) is bonded to three equivalent Zr(1) and three equivalent Ta(1) atoms to form NZr3Ta3 octahedra that share corners with six equivalent C(1)Zr3Ta3 octahedra, edges with six equivalent C(1)Zr3Ta3 octahedra, and edges with six equivalent N(1)Zr3Ta3 octahedra. The corner-sharing octahedral tilt angles range from 2-3°.
ZrTaCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Zr(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form ZrC3N3 octahedra that share corners with six equivalent Ta(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Ta(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. All Zr(1)-C(1) bond lengths are 2.30 Å. All Zr(1)-N(1) bond lengths are 2.36 Å. 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 Zr(1)C3N3 octahedra, edges with six equivalent Zr(1)C3N3 octahedra, and edges with six equivalent Ta(1)C3N3 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. All Ta(1)-C(1) bond lengths are 2.20 Å. All Ta(1)-N(1) bond lengths are 2.27 Å. C(1) is bonded to three equivalent Zr(1) and three equivalent Ta(1) atoms to form CZr3Ta3 octahedra that share corners with six equivalent N(1)Zr3Ta3 octahedra, edges with six equivalent C(1)Zr3Ta3 octahedra, and edges with six equivalent N(1)Zr3Ta3 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. N(1) is bonded to three equivalent Zr(1) and three equivalent Ta(1) atoms to form NZr3Ta3 octahedra that share corners with six equivalent C(1)Zr3Ta3 octahedra, edges with six equivalent C(1)Zr3Ta3 octahedra, and edges with six equivalent N(1)Zr3Ta3 octahedra. The corner-sharing octahedral tilt angles range from 2-3°.