Nd2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Nd site, Nd(2) is bonded to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent W(1)O6 octahedra, edges with two equivalent Nd(2)O7 hexagonal pyramids, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with three equivalent Nd(2)O7 hexagonal pyramids and edges with two equivalent Nd(2)O7 hexagonal pyramids. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one W(1) atom. In the second O site, O(1) is bonded to one Nd(1), two equivalent Nd(2), and one W(1) atom to form a mixture of corner and edge-sharing ONd3W tetrahedra. In the third O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing ONd3W tetrahedra. In the fourth O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Nd(1) and one W(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one W(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one W(1) atom.
Nd2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. The Nd(1)-O(1) bond length is 2.38 Å. The Nd(1)-O(2) bond length is 2.64 Å. The Nd(1)-O(4) bond length is 2.38 Å. The Nd(1)-O(5) bond length is 2.43 Å. The Nd(1)-O(6) bond length is 2.51 Å. There is one shorter (2.33 Å) and one longer (2.35 Å) Nd(1)-O(3) bond length. In the second Nd site, Nd(2) is bonded to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent W(1)O6 octahedra, edges with two equivalent Nd(2)O7 hexagonal pyramids, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. The Nd(2)-O(4) bond length is 2.43 Å. The Nd(2)-O(5) bond length is 2.41 Å. The Nd(2)-O(6) bond length is 2.42 Å. There is one shorter (2.42 Å) and one longer (2.46 Å) Nd(2)-O(1) bond length. There is one shorter (2.41 Å) and one longer (2.46 Å) Nd(2)-O(2) bond length. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with three equivalent Nd(2)O7 hexagonal pyramids and edges with two equivalent Nd(2)O7 hexagonal pyramids. The W(1)-O(1) bond length is 2.01 Å. The W(1)-O(2) bond length is 1.97 Å. The W(1)-O(3) bond length is 1.95 Å. The W(1)-O(4) bond length is 1.90 Å. The W(1)-O(5) bond length is 1.86 Å. The W(1)-O(6) bond length is 1.91 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one W(1) atom. In the second O site, O(1) is bonded to one Nd(1), two equivalent Nd(2), and one W(1) atom to form a mixture of corner and edge-sharing ONd3W tetrahedra. In the third O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing ONd3W tetrahedra. In the fourth O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Nd(1) and one W(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one W(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one W(1) atom.