Sc3NbO7 crystallizes in the monoclinic P2/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1) and two equivalent Sc(2) atoms to form corner-sharing OSc4 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Sc(2) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sc(2) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Sc(2), and one Nb(1) atom.
Sc3NbO7 crystallizes in the monoclinic P2/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 63°. Both Sc(1)-O(1) bond lengths are 2.07 Å. Both Sc(1)-O(2) bond lengths are 2.05 Å. Both Sc(1)-O(4) bond lengths are 2.23 Å. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. The Sc(2)-O(1) bond length is 2.09 Å. The Sc(2)-O(3) bond length is 2.10 Å. There is one shorter (2.01 Å) and one longer (2.18 Å) Sc(2)-O(2) bond length. There is one shorter (2.18 Å) and one longer (2.61 Å) Sc(2)-O(4) bond length. Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. Both Nb(1)-O(4) bond lengths are 1.95 Å. There are two shorter (1.94 Å) and two longer (2.42 Å) Nb(1)-O(3) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1) and two equivalent Sc(2) atoms to form corner-sharing OSc4 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Sc(2) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sc(2) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Sc(2), and one Nb(1) atom.