MgSc2V2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. 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, edges with three equivalent Sc(2)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. In the second Sc site, Sc(2) 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, edges with three 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 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, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one V(2)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-52°. 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, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom. In the second O site, O(2) is bonded in a distorted 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,  a cornercorner with one O(7)MgSc2V trigonal pyramid, edges with two equivalent O(4)MgSc2V2 trigonal bipyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and  an edgeedge with one O(7)MgSc2V trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OMgSc2V2 trigonal bipyramids that share corners with two equivalent O(6)MgSc2V trigonal pyramids, corners with two equivalent O(7)MgSc2V trigonal pyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid,  an edgeedge with one O(7)MgSc2V trigonal pyramid, and edges with two equivalent O(3)Sc2V2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted 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 OMgSc2V trigonal pyramids that share corners with two equivalent O(4)MgSc2V2 trigonal bipyramids,  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with two equivalent O(7)MgSc2V trigonal pyramids,  an edgeedge with one O(4)MgSc2V2 trigonal bipyramid,  an edgeedge with one O(7)MgSc2V trigonal pyramid, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom to form OMgSc2V trigonal pyramids that share corners with two equivalent O(4)MgSc2V2 trigonal bipyramids,  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with two equivalent O(6)MgSc2V trigonal pyramids,  an edgeedge with one O(4)MgSc2V2 trigonal bipyramid,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid.
MgSc2V2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. The Mg(1)-O(1) bond length is 2.25 Å. The Mg(1)-O(2) bond length is 2.29 Å. The Mg(1)-O(4) bond length is 2.42 Å. The Mg(1)-O(5) bond length is 1.99 Å. The Mg(1)-O(6) bond length is 2.03 Å. The Mg(1)-O(7) bond length is 2.04 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, edges with three equivalent Sc(2)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. The Sc(1)-O(1) bond length is 2.20 Å. The Sc(1)-O(2) bond length is 2.14 Å. The Sc(1)-O(3) bond length is 2.21 Å. The Sc(1)-O(4) bond length is 2.18 Å. The Sc(1)-O(6) bond length is 2.18 Å. The Sc(1)-O(7) bond length is 2.07 Å. In the second Sc site, Sc(2) 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, edges with three 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 Sc(2)-O(1) bond length is 2.15 Å. The Sc(2)-O(2) bond length is 2.18 Å. The Sc(2)-O(3) bond length is 2.19 Å. The Sc(2)-O(4) bond length is 2.20 Å. The Sc(2)-O(6) bond length is 2.07 Å. The Sc(2)-O(7) bond length is 2.20 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, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one V(2)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-52°. The V(1)-O(1) bond length is 1.96 Å. The V(1)-O(2) bond length is 1.94 Å. The V(1)-O(3) bond length is 1.98 Å. The V(1)-O(4) bond length is 2.17 Å. The V(1)-O(5) bond length is 1.93 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, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-52°. The V(2)-O(3) bond length is 2.15 Å. The V(2)-O(4) bond length is 2.07 Å. The V(2)-O(5) bond length is 1.83 Å. The V(2)-O(6) bond length is 2.01 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 in a distorted see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom. In the second O site, O(2) is bonded in a distorted 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,  a cornercorner with one O(7)MgSc2V trigonal pyramid, edges with two equivalent O(4)MgSc2V2 trigonal bipyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and  an edgeedge with one O(7)MgSc2V trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OMgSc2V2 trigonal bipyramids that share corners with two equivalent O(6)MgSc2V trigonal pyramids, corners with two equivalent O(7)MgSc2V trigonal pyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid,  an edgeedge with one O(7)MgSc2V trigonal pyramid, and edges with two equivalent O(3)Sc2V2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted 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 OMgSc2V trigonal pyramids that share corners with two equivalent O(4)MgSc2V2 trigonal bipyramids,  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with two equivalent O(7)MgSc2V trigonal pyramids,  an edgeedge with one O(4)MgSc2V2 trigonal bipyramid,  an edgeedge with one O(7)MgSc2V trigonal pyramid, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom to form OMgSc2V trigonal pyramids that share corners with two equivalent O(4)MgSc2V2 trigonal bipyramids,  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with two equivalent O(6)MgSc2V trigonal pyramids,  an edgeedge with one O(4)MgSc2V2 trigonal bipyramid,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid.