Nd2NbInO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted NdO8 hexagonal bipyramids that share edges with two equivalent Nd(1)O8 hexagonal bipyramids, edges with two equivalent In(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. In the second Nd site, Nd(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, and edges with four equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-52°. In(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and edges with two equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 52-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nd(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent Nd(2) and two equivalent In(1) atoms to form ONd2In2 tetrahedra that share corners with two equivalent O(4)Nd4 tetrahedra, corners with four equivalent O(2)Nd2In2 tetrahedra, corners with eight equivalent O(3)Nd2NbIn tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and edges with four equivalent O(3)Nd2NbIn tetrahedra. In the third O site, O(3) is bonded to one Nd(1), one Nd(2), one Nb(1), and one In(1) atom to form distorted ONd2NbIn tetrahedra that share corners with two equivalent O(2)Nd2In2 tetrahedra, corners with two equivalent O(4)Nd4 tetrahedra, corners with eight equivalent O(3)Nd2NbIn tetrahedra,  an edgeedge with one O(2)Nd2In2 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and edges with two equivalent O(3)Nd2NbIn tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(2)Nd2In2 tetrahedra, corners with four equivalent O(4)Nd4 tetrahedra, corners with eight equivalent O(3)Nd2NbIn tetrahedra,  an edgeedge with one O(2)Nd2In2 tetrahedra, and edges with four equivalent O(3)Nd2NbIn tetrahedra.
Nd2NbInO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted NdO8 hexagonal bipyramids that share edges with two equivalent Nd(1)O8 hexagonal bipyramids, edges with two equivalent In(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. Both Nd(1)-O(1) bond lengths are 2.76 Å. Both Nd(1)-O(4) bond lengths are 2.29 Å. All Nd(1)-O(3) bond lengths are 2.56 Å. In the second Nd site, Nd(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Both Nd(2)-O(2) bond lengths are 2.50 Å. Both Nd(2)-O(4) bond lengths are 2.36 Å. All Nd(2)-O(3) bond lengths are 2.63 Å. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, and edges with four equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-52°. Both Nb(1)-O(1) bond lengths are 2.03 Å. All Nb(1)-O(3) bond lengths are 2.01 Å. In(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and edges with two equivalent Nd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 52-60°. Both In(1)-O(2) bond lengths are 2.16 Å. All In(1)-O(3) bond lengths are 2.21 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nd(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent Nd(2) and two equivalent In(1) atoms to form ONd2In2 tetrahedra that share corners with two equivalent O(4)Nd4 tetrahedra, corners with four equivalent O(2)Nd2In2 tetrahedra, corners with eight equivalent O(3)Nd2NbIn tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and edges with four equivalent O(3)Nd2NbIn tetrahedra. In the third O site, O(3) is bonded to one Nd(1), one Nd(2), one Nb(1), and one In(1) atom to form distorted ONd2NbIn tetrahedra that share corners with two equivalent O(2)Nd2In2 tetrahedra, corners with two equivalent O(4)Nd4 tetrahedra, corners with eight equivalent O(3)Nd2NbIn tetrahedra,  an edgeedge with one O(2)Nd2In2 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and edges with two equivalent O(3)Nd2NbIn tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(2)Nd2In2 tetrahedra, corners with four equivalent O(4)Nd4 tetrahedra, corners with eight equivalent O(3)Nd2NbIn tetrahedra,  an edgeedge with one O(2)Nd2In2 tetrahedra, and edges with four equivalent O(3)Nd2NbIn tetrahedra.