ZnIn3AsSe4 crystallizes in the triclinic P1 space group. Zn(1) is bonded to one As(1), one Se(1), one Se(2), and one Se(3) atom to form ZnAsSe3 tetrahedra that share corners with three equivalent In(1)AsSe3 tetrahedra, corners with three equivalent In(2)AsSe3 tetrahedra, and corners with three equivalent In(3)AsSe3 tetrahedra. There are three inequivalent In sites. In the first In site, In(1) is bonded to one As(1), one Se(2), one Se(3), and one Se(4) atom to form InAsSe3 tetrahedra that share corners with three equivalent Zn(1)AsSe3 tetrahedra, corners with three equivalent In(2)AsSe3 tetrahedra, and corners with three equivalent In(3)AsSe3 tetrahedra. In the second In site, In(2) is bonded to one As(1), one Se(1), one Se(3), and one Se(4) atom to form InAsSe3 tetrahedra that share corners with three equivalent Zn(1)AsSe3 tetrahedra, corners with three equivalent In(1)AsSe3 tetrahedra, and corners with three equivalent In(3)AsSe3 tetrahedra. In the third In site, In(3) is bonded to one As(1), one Se(1), one Se(2), and one Se(4) atom to form InAsSe3 tetrahedra that share corners with three equivalent Zn(1)AsSe3 tetrahedra, corners with three equivalent In(1)AsSe3 tetrahedra, and corners with three equivalent In(2)AsSe3 tetrahedra. As(1) is bonded in a tetrahedral geometry to one Zn(1), one In(1), one In(2), and one In(3) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one In(2), and one In(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Zn(1), one In(1), and one In(3) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one Zn(1), one In(1), and one In(2) atom. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one In(1), one In(2), and one In(3) atom.
ZnIn3AsSe4 crystallizes in the triclinic P1 space group. Zn(1) is bonded to one As(1), one Se(1), one Se(2), and one Se(3) atom to form ZnAsSe3 tetrahedra that share corners with three equivalent In(1)AsSe3 tetrahedra, corners with three equivalent In(2)AsSe3 tetrahedra, and corners with three equivalent In(3)AsSe3 tetrahedra. The Zn(1)-As(1) bond length is 2.50 Å. The Zn(1)-Se(1) bond length is 2.50 Å. The Zn(1)-Se(2) bond length is 2.50 Å. The Zn(1)-Se(3) bond length is 2.52 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded to one As(1), one Se(2), one Se(3), and one Se(4) atom to form InAsSe3 tetrahedra that share corners with three equivalent Zn(1)AsSe3 tetrahedra, corners with three equivalent In(2)AsSe3 tetrahedra, and corners with three equivalent In(3)AsSe3 tetrahedra. The In(1)-As(1) bond length is 2.64 Å. The In(1)-Se(2) bond length is 2.64 Å. The In(1)-Se(3) bond length is 2.64 Å. The In(1)-Se(4) bond length is 2.67 Å. In the second In site, In(2) is bonded to one As(1), one Se(1), one Se(3), and one Se(4) atom to form InAsSe3 tetrahedra that share corners with three equivalent Zn(1)AsSe3 tetrahedra, corners with three equivalent In(1)AsSe3 tetrahedra, and corners with three equivalent In(3)AsSe3 tetrahedra. The In(2)-As(1) bond length is 2.64 Å. The In(2)-Se(1) bond length is 2.64 Å. The In(2)-Se(3) bond length is 2.64 Å. The In(2)-Se(4) bond length is 2.68 Å. In the third In site, In(3) is bonded to one As(1), one Se(1), one Se(2), and one Se(4) atom to form InAsSe3 tetrahedra that share corners with three equivalent Zn(1)AsSe3 tetrahedra, corners with three equivalent In(1)AsSe3 tetrahedra, and corners with three equivalent In(2)AsSe3 tetrahedra. The In(3)-As(1) bond length is 2.64 Å. The In(3)-Se(1) bond length is 2.64 Å. The In(3)-Se(2) bond length is 2.64 Å. The In(3)-Se(4) bond length is 2.67 Å. As(1) is bonded in a tetrahedral geometry to one Zn(1), one In(1), one In(2), and one In(3) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one In(2), and one In(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Zn(1), one In(1), and one In(3) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one Zn(1), one In(1), and one In(2) atom. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one In(1), one In(2), and one In(3) atom.