La3ScO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. La(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LaO6 pentagonal pyramids that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra, corners with four equivalent La(1)O6 pentagonal pyramids,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and edges with four equivalent La(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-46°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent La(1)O6 pentagonal pyramids and edges with six equivalent La(1)O6 pentagonal pyramids. In the second Sc site, Sc(2) is bonded to six equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent La(1)O6 pentagonal pyramids and edges with six equivalent La(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent La(1) and one Sc(1) atom to form a mixture of distorted edge and corner-sharing OLa3Sc trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to three equivalent La(1) and one Sc(2) atom.
La3ScO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. La(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LaO6 pentagonal pyramids that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra, corners with four equivalent La(1)O6 pentagonal pyramids,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and edges with four equivalent La(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-46°. There are a spread of La(1)-O(1) bond distances ranging from 2.38-2.51 Å. There are a spread of La(1)-O(2) bond distances ranging from 2.43-2.45 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent La(1)O6 pentagonal pyramids and edges with six equivalent La(1)O6 pentagonal pyramids. All Sc(1)-O(1) bond lengths are 2.19 Å. In the second Sc site, Sc(2) is bonded to six equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent La(1)O6 pentagonal pyramids and edges with six equivalent La(1)O6 pentagonal pyramids. All Sc(2)-O(2) bond lengths are 2.16 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent La(1) and one Sc(1) atom to form a mixture of distorted edge and corner-sharing OLa3Sc trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to three equivalent La(1) and one Sc(2) atom.