TaZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ta(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form TaN4 tetrahedra that share corners with two equivalent Ta(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent Ta(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Ta(1) and two equivalent Zn(1) atoms to form NTa2Zn2 tetrahedra that share corners with two equivalent N(2)Ta2Zn2 tetrahedra and corners with ten equivalent N(1)TaZn3 tetrahedra. In the second N site, N(1) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form NTaZn3 tetrahedra that share corners with five equivalent N(2)Ta2Zn2 tetrahedra and corners with seven equivalent N(1)TaZn3 tetrahedra.
TaZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Ta(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form TaN4 tetrahedra that share corners with two equivalent Ta(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. Both Ta(1)-N(1) bond lengths are 1.92 Å. Both Ta(1)-N(2) bond lengths are 1.99 Å. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent Ta(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. The Zn(1)-N(2) bond length is 2.13 Å. There are a spread of Zn(1)-N(1) bond distances ranging from 2.02-2.04 Å. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Ta(1) and two equivalent Zn(1) atoms to form NTa2Zn2 tetrahedra that share corners with two equivalent N(2)Ta2Zn2 tetrahedra and corners with ten equivalent N(1)TaZn3 tetrahedra. In the second N site, N(1) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form NTaZn3 tetrahedra that share corners with five equivalent N(2)Ta2Zn2 tetrahedra and corners with seven equivalent N(1)TaZn3 tetrahedra.