CrGa2N3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Ga(1)N4 tetrahedra. Ga(1) is bonded to one N(2) and three equivalent N(1) atoms to form GaN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Ga(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Cr(1) and two equivalent Ga(1) atoms to form NCr2Ga2 tetrahedra that share corners with two equivalent N(2)Cr2Ga2 tetrahedra and corners with ten equivalent N(1)CrGa3 tetrahedra. In the second N site, N(1) is bonded to one Cr(1) and three equivalent Ga(1) atoms to form NCrGa3 tetrahedra that share corners with five equivalent N(2)Cr2Ga2 tetrahedra and corners with seven equivalent N(1)CrGa3 tetrahedra.
CrGa2N3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Ga(1)N4 tetrahedra. Both Cr(1)-N(1) bond lengths are 2.00 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Cr(1)-N(2) bond length. Ga(1) is bonded to one N(2) and three equivalent N(1) atoms to form GaN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Ga(1)N4 tetrahedra. The Ga(1)-N(2) bond length is 1.99 Å. There are two shorter (1.96 Å) and one longer (1.97 Å) Ga(1)-N(1) bond length. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Cr(1) and two equivalent Ga(1) atoms to form NCr2Ga2 tetrahedra that share corners with two equivalent N(2)Cr2Ga2 tetrahedra and corners with ten equivalent N(1)CrGa3 tetrahedra. In the second N site, N(1) is bonded to one Cr(1) and three equivalent Ga(1) atoms to form NCrGa3 tetrahedra that share corners with five equivalent N(2)Cr2Ga2 tetrahedra and corners with seven equivalent N(1)CrGa3 tetrahedra.