MgWCrS4 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one S(1), one S(5), one S(6), and one S(8) atom to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra, corners with three equivalent W(2)S6 octahedra, corners with three equivalent Cr(1)S6 octahedra, and corners with three equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Mg site, Mg(2) is bonded to one S(2), one S(3), one S(4), and one S(7) atom to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra, corners with three equivalent W(2)S6 octahedra, corners with three equivalent Cr(1)S6 octahedra, and corners with three equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one S(2), one S(3), one S(4), one S(5), one S(6), and one S(8) atom 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(2)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. In the second W site, W(2) is bonded to one S(1), one S(2), one S(3), one S(5), one S(7), and one S(8) atom 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, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(7) atom to form CrS6 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, edges with two equivalent W(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. In the second Cr site, Cr(2) is bonded to one S(1), one S(2), one S(4), one S(6), one S(7), and one S(8) atom to form CrS6 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, edges with two equivalent W(2)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one W(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing SMgCr2W tetrahedra. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one W(1), one W(2), and one Cr(2) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one W(1), one W(2), and one Cr(1) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Mg(2), one W(1), one Cr(1), and one Cr(2) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one Cr(1) atom. In the sixth S site, S(6) is bonded to one Mg(1), one W(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing SMgCr2W tetrahedra. In the seventh S site, S(7) is bonded to one Mg(2), one W(2), one Cr(1), and one Cr(2) atom to form distorted corner-sharing SMgCr2W trigonal pyramids. In the eighth S site, S(8) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one Cr(2) atom.
MgWCrS4 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one S(1), one S(5), one S(6), and one S(8) atom to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra, corners with three equivalent W(2)S6 octahedra, corners with three equivalent Cr(1)S6 octahedra, and corners with three equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. The Mg(1)-S(1) bond length is 2.46 Å. The Mg(1)-S(5) bond length is 2.46 Å. The Mg(1)-S(6) bond length is 2.46 Å. The Mg(1)-S(8) bond length is 2.46 Å. In the second Mg site, Mg(2) is bonded to one S(2), one S(3), one S(4), and one S(7) atom to form MgS4 tetrahedra that share corners with three equivalent W(1)S6 octahedra, corners with three equivalent W(2)S6 octahedra, corners with three equivalent Cr(1)S6 octahedra, and corners with three equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. The Mg(2)-S(2) bond length is 2.42 Å. The Mg(2)-S(3) bond length is 2.42 Å. The Mg(2)-S(4) bond length is 2.36 Å. The Mg(2)-S(7) bond length is 2.37 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to one S(2), one S(3), one S(4), one S(5), one S(6), and one S(8) atom 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(2)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The W(1)-S(2) bond length is 2.38 Å. The W(1)-S(3) bond length is 2.38 Å. The W(1)-S(4) bond length is 2.47 Å. The W(1)-S(5) bond length is 2.60 Å. The W(1)-S(6) bond length is 2.46 Å. The W(1)-S(8) bond length is 2.60 Å. In the second W site, W(2) is bonded to one S(1), one S(2), one S(3), one S(5), one S(7), and one S(8) atom 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, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The W(2)-S(1) bond length is 2.48 Å. The W(2)-S(2) bond length is 2.39 Å. The W(2)-S(3) bond length is 2.39 Å. The W(2)-S(5) bond length is 2.61 Å. The W(2)-S(7) bond length is 2.47 Å. The W(2)-S(8) bond length is 2.61 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(7) atom to form CrS6 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, edges with two equivalent W(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The Cr(1)-S(1) bond length is 2.43 Å. The Cr(1)-S(3) bond length is 2.44 Å. The Cr(1)-S(4) bond length is 2.45 Å. The Cr(1)-S(5) bond length is 2.46 Å. The Cr(1)-S(6) bond length is 2.42 Å. The Cr(1)-S(7) bond length is 2.42 Å. In the second Cr site, Cr(2) is bonded to one S(1), one S(2), one S(4), one S(6), one S(7), and one S(8) atom to form CrS6 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, edges with two equivalent W(2)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The Cr(2)-S(1) bond length is 2.43 Å. The Cr(2)-S(2) bond length is 2.43 Å. The Cr(2)-S(4) bond length is 2.45 Å. The Cr(2)-S(6) bond length is 2.42 Å. The Cr(2)-S(7) bond length is 2.42 Å. The Cr(2)-S(8) bond length is 2.47 Å. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one W(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing SMgCr2W tetrahedra. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one W(1), one W(2), and one Cr(2) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one W(1), one W(2), and one Cr(1) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Mg(2), one W(1), one Cr(1), and one Cr(2) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one Cr(1) atom. In the sixth S site, S(6) is bonded to one Mg(1), one W(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing SMgCr2W tetrahedra. In the seventh S site, S(7) is bonded to one Mg(2), one W(2), one Cr(1), and one Cr(2) atom to form distorted corner-sharing SMgCr2W trigonal pyramids. In the eighth S site, S(8) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one Cr(2) atom.