MgWGaS4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent S(1) and two equivalent S(4) atoms to form MgS4 tetrahedra that share corners with six equivalent W(1)S6 octahedra and corners with six equivalent Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-69°. In the second Mg site, Mg(2) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with six equivalent W(1)S6 octahedra and corners with six equivalent Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. W(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form distorted WS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Mg(2)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Ga(1)S6 octahedra. Ga(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form GaS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Mg(2)S4 tetrahedra, edges with two equivalent Ga(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent W(1), and one Ga(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one W(1), and two equivalent Ga(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent W(1), and one Ga(1) atom. In the fourth S site, S(4) is bonded to one Mg(1), one W(1), and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SMgGa2W tetrahedra.
MgWGaS4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent S(1) and two equivalent S(4) atoms to form MgS4 tetrahedra that share corners with six equivalent W(1)S6 octahedra and corners with six equivalent Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 44-69°. Both Mg(1)-S(1) bond lengths are 2.47 Å. Both Mg(1)-S(4) bond lengths are 2.43 Å. In the second Mg site, Mg(2) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with six equivalent W(1)S6 octahedra and corners with six equivalent Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. Both Mg(2)-S(2) bond lengths are 2.46 Å. Both Mg(2)-S(3) bond lengths are 2.49 Å. W(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form distorted WS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Mg(2)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Ga(1)S6 octahedra. The W(1)-S(2) bond length is 2.40 Å. The W(1)-S(4) bond length is 2.40 Å. Both W(1)-S(1) bond lengths are 2.38 Å. Both W(1)-S(3) bond lengths are 2.62 Å. Ga(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form GaS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Mg(2)S4 tetrahedra, edges with two equivalent Ga(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. The Ga(1)-S(1) bond length is 2.58 Å. The Ga(1)-S(3) bond length is 2.45 Å. Both Ga(1)-S(2) bond lengths are 2.51 Å. Both Ga(1)-S(4) bond lengths are 2.53 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent W(1), and one Ga(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one W(1), and two equivalent Ga(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent W(1), and one Ga(1) atom. In the fourth S site, S(4) is bonded to one Mg(1), one W(1), and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SMgGa2W tetrahedra.