MgSc2V2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent Sc(1)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted ScO6 octahedra that share corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent V(2)O5 trigonal bipyramids,  an edgeedge with one V(1)O5 trigonal bipyramid,  an edgeedge with one V(2)O5 trigonal bipyramid, and edges with two equivalent Mg(1)O5 trigonal bipyramids. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form VO5 trigonal bipyramids that share corners with two equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-56°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO5 trigonal bipyramids that share corners with two equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-57°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom to form distorted OMgSc2V trigonal pyramids that share  a cornercorner with one O(4)Sc2V2 trigonal pyramid, corners with three equivalent O(6)MgSc2V trigonal pyramids, corners with three equivalent O(3)Sc2V2 trigonal pyramids, and  an edgeedge with one O(4)Sc2V2 trigonal pyramid. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom. In the third O site, O(3) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OSc2V2 trigonal pyramids that share  a cornercorner with one O(6)MgSc2V trigonal pyramid, corners with three equivalent O(1)MgSc2V trigonal pyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and edges with two equivalent O(4)Sc2V2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OSc2V2 trigonal pyramids that share  a cornercorner with one O(1)MgSc2V trigonal pyramid, corners with three equivalent O(6)MgSc2V trigonal pyramids,  an edgeedge with one O(1)MgSc2V trigonal pyramid, and edges with two equivalent O(3)Sc2V2 trigonal pyramids. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom to form distorted OMgSc2V trigonal pyramids that share  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with three equivalent O(1)MgSc2V trigonal pyramids, corners with three equivalent O(4)Sc2V2 trigonal pyramids, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom.
MgSc2V2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent Sc(1)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. The Mg(1)-O(1) bond length is 2.05 Å. The Mg(1)-O(2) bond length is 2.21 Å. The Mg(1)-O(5) bond length is 1.95 Å. The Mg(1)-O(6) bond length is 2.05 Å. The Mg(1)-O(7) bond length is 2.20 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted ScO6 octahedra that share corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent V(2)O5 trigonal bipyramids,  an edgeedge with one V(1)O5 trigonal bipyramid,  an edgeedge with one V(2)O5 trigonal bipyramid, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The Sc(1)-O(1) bond length is 2.17 Å. The Sc(1)-O(2) bond length is 2.07 Å. The Sc(1)-O(3) bond length is 2.17 Å. The Sc(1)-O(4) bond length is 2.17 Å. The Sc(1)-O(6) bond length is 2.16 Å. The Sc(1)-O(7) bond length is 2.07 Å. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. The Sc(2)-O(1) bond length is 2.13 Å. The Sc(2)-O(2) bond length is 2.39 Å. The Sc(2)-O(3) bond length is 2.13 Å. The Sc(2)-O(4) bond length is 2.14 Å. The Sc(2)-O(6) bond length is 2.13 Å. The Sc(2)-O(7) bond length is 2.39 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form VO5 trigonal bipyramids that share corners with two equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-56°. The V(1)-O(1) bond length is 2.00 Å. The V(1)-O(2) bond length is 1.99 Å. The V(1)-O(3) bond length is 2.01 Å. The V(1)-O(4) bond length is 2.11 Å. The V(1)-O(5) bond length is 1.88 Å. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO5 trigonal bipyramids that share corners with two equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-57°. The V(2)-O(3) bond length is 2.11 Å. The V(2)-O(4) bond length is 2.01 Å. The V(2)-O(5) bond length is 1.88 Å. The V(2)-O(6) bond length is 2.00 Å. The V(2)-O(7) bond length is 1.99 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom to form distorted OMgSc2V trigonal pyramids that share  a cornercorner with one O(4)Sc2V2 trigonal pyramid, corners with three equivalent O(6)MgSc2V trigonal pyramids, corners with three equivalent O(3)Sc2V2 trigonal pyramids, and  an edgeedge with one O(4)Sc2V2 trigonal pyramid. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom. In the third O site, O(3) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OSc2V2 trigonal pyramids that share  a cornercorner with one O(6)MgSc2V trigonal pyramid, corners with three equivalent O(1)MgSc2V trigonal pyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and edges with two equivalent O(4)Sc2V2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OSc2V2 trigonal pyramids that share  a cornercorner with one O(1)MgSc2V trigonal pyramid, corners with three equivalent O(6)MgSc2V trigonal pyramids,  an edgeedge with one O(1)MgSc2V trigonal pyramid, and edges with two equivalent O(3)Sc2V2 trigonal pyramids. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom to form distorted OMgSc2V trigonal pyramids that share  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with three equivalent O(1)MgSc2V trigonal pyramids, corners with three equivalent O(4)Sc2V2 trigonal pyramids, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom.