Mg2ScW3S8 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 trigonal pyramids that share corners with three equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second Mg site, Mg(2) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), one S(4), and one S(7) atom. Sc(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 ScS6 octahedra that share corners with three equivalent Mg(1)S4 trigonal pyramids. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(7) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(7), and one S(8) atom. In the third W site, W(3) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(4), one S(6), one S(7), and one S(8) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one W(3) atom. In the second S site, S(2) is bonded to one Mg(2), one Sc(1), one W(2), and one W(3) atom to form a mixture of distorted edge and corner-sharing SMgScW2 trigonal pyramids. In the third S site, S(3) is bonded to one Mg(2), one Sc(1), one W(1), and one W(2) atom to form a mixture of distorted edge and corner-sharing SMgScW2 trigonal pyramids. In the fourth S site, S(4) is bonded to one Mg(2), one Sc(1), one W(1), and one W(3) atom to form a mixture of distorted edge and corner-sharing SMgScW2 trigonal pyramids. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Mg(1), one Sc(1), one W(1), and one W(2) atom. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one Mg(1), one Sc(1), one W(1), and one W(3) atom. In the seventh S site, S(7) is bonded in a distorted single-bond geometry to one Mg(2), one W(1), one W(2), and one W(3) atom. In the eighth S site, S(8) is bonded to one Mg(1), one Sc(1), one W(2), and one W(3) atom to form distorted corner-sharing SMgScW2 tetrahedra.
Mg2ScW3S8 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 trigonal pyramids that share corners with three equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. The Mg(1)-S(1) bond length is 2.55 Å. The Mg(1)-S(5) bond length is 2.34 Å. The Mg(1)-S(6) bond length is 2.34 Å. The Mg(1)-S(8) bond length is 2.33 Å. In the second Mg site, Mg(2) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), one S(4), and one S(7) atom. The Mg(2)-S(2) bond length is 2.47 Å. The Mg(2)-S(3) bond length is 2.46 Å. The Mg(2)-S(4) bond length is 2.45 Å. The Mg(2)-S(7) bond length is 2.46 Å. Sc(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 ScS6 octahedra that share corners with three equivalent Mg(1)S4 trigonal pyramids. The Sc(1)-S(2) bond length is 2.48 Å. The Sc(1)-S(3) bond length is 2.49 Å. The Sc(1)-S(4) bond length is 2.49 Å. The Sc(1)-S(5) bond length is 2.69 Å. The Sc(1)-S(6) bond length is 2.69 Å. The Sc(1)-S(8) bond length is 2.70 Å. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(7) atom. The W(1)-S(1) bond length is 2.38 Å. The W(1)-S(3) bond length is 2.56 Å. The W(1)-S(4) bond length is 2.55 Å. The W(1)-S(5) bond length is 2.41 Å. The W(1)-S(6) bond length is 2.41 Å. The W(1)-S(7) bond length is 2.70 Å. In the second W site, W(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(7), and one S(8) atom. The W(2)-S(1) bond length is 2.38 Å. The W(2)-S(2) bond length is 2.53 Å. The W(2)-S(3) bond length is 2.55 Å. The W(2)-S(5) bond length is 2.42 Å. The W(2)-S(7) bond length is 2.68 Å. The W(2)-S(8) bond length is 2.41 Å. In the third W site, W(3) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(4), one S(6), one S(7), and one S(8) atom. The W(3)-S(1) bond length is 2.39 Å. The W(3)-S(2) bond length is 2.53 Å. The W(3)-S(4) bond length is 2.54 Å. The W(3)-S(6) bond length is 2.42 Å. The W(3)-S(7) bond length is 2.69 Å. The W(3)-S(8) bond length is 2.41 Å. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one W(3) atom. In the second S site, S(2) is bonded to one Mg(2), one Sc(1), one W(2), and one W(3) atom to form a mixture of distorted edge and corner-sharing SMgScW2 trigonal pyramids. In the third S site, S(3) is bonded to one Mg(2), one Sc(1), one W(1), and one W(2) atom to form a mixture of distorted edge and corner-sharing SMgScW2 trigonal pyramids. In the fourth S site, S(4) is bonded to one Mg(2), one Sc(1), one W(1), and one W(3) atom to form a mixture of distorted edge and corner-sharing SMgScW2 trigonal pyramids. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Mg(1), one Sc(1), one W(1), and one W(2) atom. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one Mg(1), one Sc(1), one W(1), and one W(3) atom. In the seventh S site, S(7) is bonded in a distorted single-bond geometry to one Mg(2), one W(1), one W(2), and one W(3) atom. In the eighth S site, S(8) is bonded to one Mg(1), one Sc(1), one W(2), and one W(3) atom to form distorted corner-sharing SMgScW2 tetrahedra.