Nd3SbO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded to one O(3), two equivalent O(2), and four equivalent O(1) atoms to form distorted NdO7 pentagonal bipyramids that share corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Nd(2)O7 pentagonal bipyramids, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Nd(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. Sb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Nd(2)O7 pentagonal bipyramids, and edges with four equivalent Nd(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(2) and two equivalent Sb(1) atoms.
Nd3SbO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Nd(1)-O(1) bond lengths are 2.75 Å. All Nd(1)-O(2) bond lengths are 2.40 Å. In the second Nd site, Nd(2) is bonded to one O(3), two equivalent O(2), and four equivalent O(1) atoms to form distorted NdO7 pentagonal bipyramids that share corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Nd(2)O7 pentagonal bipyramids, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Nd(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. The Nd(2)-O(3) bond length is 2.66 Å. There is one shorter (2.30 Å) and one longer (2.31 Å) Nd(2)-O(2) bond length. There are two shorter (2.44 Å) and two longer (2.45 Å) Nd(2)-O(1) bond lengths. Sb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Nd(2)O7 pentagonal bipyramids, and edges with four equivalent Nd(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. Both Sb(1)-O(3) bond lengths are 2.01 Å. All Sb(1)-O(1) bond lengths are 1.98 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(2) and two equivalent Sb(1) atoms.