In3GaN4 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to one N(2) and three equivalent N(4) atoms to form corner-sharing InN4 tetrahedra. In the second In site, In(2) is bonded to one N(4) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with three equivalent In(1)N4 tetrahedra, corners with three equivalent Ga(1)N4 tetrahedra, and corners with six equivalent In(2)N4 tetrahedra. In the third In site, In(3) is bonded to one N(3) and three equivalent N(2) atoms to form InN4 tetrahedra that share corners with three equivalent In(1)N4 tetrahedra, corners with three equivalent Ga(1)N4 tetrahedra, and corners with six equivalent In(3)N4 tetrahedra. Ga(1) is bonded to one N(1) and three equivalent N(3) atoms to form GaN4 tetrahedra that share corners with three equivalent In(2)N4 tetrahedra, corners with three equivalent In(3)N4 tetrahedra, and corners with six equivalent Ga(1)N4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to three equivalent In(2) and one Ga(1) atom to form NIn3Ga tetrahedra that share corners with three equivalent N(4)In4 tetrahedra, corners with three equivalent N(3)InGa3 tetrahedra, and corners with six equivalent N(1)In3Ga tetrahedra. In the second N site, N(2) is bonded to one In(1) and three equivalent In(3) atoms to form NIn4 tetrahedra that share corners with three equivalent N(4)In4 tetrahedra, corners with three equivalent N(3)InGa3 tetrahedra, and corners with six equivalent N(2)In4 tetrahedra. In the third N site, N(3) is bonded to one In(3) and three equivalent Ga(1) atoms to form NInGa3 tetrahedra that share corners with three equivalent N(1)In3Ga tetrahedra, corners with three equivalent N(2)In4 tetrahedra, and corners with six equivalent N(3)InGa3 tetrahedra. In the fourth N site, N(4) is bonded to one In(2) and three equivalent In(1) atoms to form NIn4 tetrahedra that share corners with three equivalent N(1)In3Ga tetrahedra, corners with three equivalent N(2)In4 tetrahedra, and corners with six equivalent N(4)In4 tetrahedra.
In3GaN4 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to one N(2) and three equivalent N(4) atoms to form corner-sharing InN4 tetrahedra. The In(1)-N(2) bond length is 2.17 Å. All In(1)-N(4) bond lengths are 2.15 Å. In the second In site, In(2) is bonded to one N(4) and three equivalent N(1) atoms to form InN4 tetrahedra that share corners with three equivalent In(1)N4 tetrahedra, corners with three equivalent Ga(1)N4 tetrahedra, and corners with six equivalent In(2)N4 tetrahedra. The In(2)-N(4) bond length is 2.18 Å. All In(2)-N(1) bond lengths are 2.15 Å. In the third In site, In(3) is bonded to one N(3) and three equivalent N(2) atoms to form InN4 tetrahedra that share corners with three equivalent In(1)N4 tetrahedra, corners with three equivalent Ga(1)N4 tetrahedra, and corners with six equivalent In(3)N4 tetrahedra. The In(3)-N(3) bond length is 2.20 Å. All In(3)-N(2) bond lengths are 2.16 Å. Ga(1) is bonded to one N(1) and three equivalent N(3) atoms to form GaN4 tetrahedra that share corners with three equivalent In(2)N4 tetrahedra, corners with three equivalent In(3)N4 tetrahedra, and corners with six equivalent Ga(1)N4 tetrahedra. The Ga(1)-N(1) bond length is 1.95 Å. All Ga(1)-N(3) bond lengths are 2.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to three equivalent In(2) and one Ga(1) atom to form NIn3Ga tetrahedra that share corners with three equivalent N(4)In4 tetrahedra, corners with three equivalent N(3)InGa3 tetrahedra, and corners with six equivalent N(1)In3Ga tetrahedra. In the second N site, N(2) is bonded to one In(1) and three equivalent In(3) atoms to form NIn4 tetrahedra that share corners with three equivalent N(4)In4 tetrahedra, corners with three equivalent N(3)InGa3 tetrahedra, and corners with six equivalent N(2)In4 tetrahedra. In the third N site, N(3) is bonded to one In(3) and three equivalent Ga(1) atoms to form NInGa3 tetrahedra that share corners with three equivalent N(1)In3Ga tetrahedra, corners with three equivalent N(2)In4 tetrahedra, and corners with six equivalent N(3)InGa3 tetrahedra. In the fourth N site, N(4) is bonded to one In(2) and three equivalent In(1) atoms to form NIn4 tetrahedra that share corners with three equivalent N(1)In3Ga tetrahedra, corners with three equivalent N(2)In4 tetrahedra, and corners with six equivalent N(4)In4 tetrahedra.