Nd2TeO6 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(3), one O(4), one O(5), and two equivalent O(6) atoms. In the second Nd site, Nd(2) is bonded to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent Te(1)O6 octahedra, edges with two equivalent Nd(2)O7 hexagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. Te(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 TeO6 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 trigonal non-coplanar geometry to two equivalent Nd(1) and one Te(1) atom. In the second O site, O(1) is bonded to one Nd(1), two equivalent Nd(2), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONd3Te tetrahedra. In the third O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONd3Te tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Te(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Te(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 Te(1) atom.
Nd2TeO6 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(3), one O(4), one O(5), and two equivalent O(6) atoms. The Nd(1)-O(1) bond length is 2.39 Å. The Nd(1)-O(2) bond length is 2.68 Å. The Nd(1)-O(3) bond length is 2.54 Å. The Nd(1)-O(4) bond length is 2.42 Å. The Nd(1)-O(5) bond length is 2.37 Å. There is one shorter (2.33 Å) and one longer (2.37 Å) Nd(1)-O(6) bond length. In the second Nd site, Nd(2) is bonded to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent Te(1)O6 octahedra, edges with two equivalent Nd(2)O7 hexagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. The Nd(2)-O(3) bond length is 2.38 Å. The Nd(2)-O(4) bond length is 2.37 Å. The Nd(2)-O(5) bond length is 2.41 Å. There is one shorter (2.47 Å) and one longer (2.56 Å) Nd(2)-O(1) bond length. There is one shorter (2.45 Å) and one longer (2.52 Å) Nd(2)-O(2) bond length. Te(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 TeO6 octahedra that share corners with three equivalent Nd(2)O7 hexagonal pyramids and edges with two equivalent Nd(2)O7 hexagonal pyramids. The Te(1)-O(1) bond length is 1.96 Å. The Te(1)-O(2) bond length is 1.95 Å. The Te(1)-O(3) bond length is 1.94 Å. The Te(1)-O(4) bond length is 1.90 Å. The Te(1)-O(5) bond length is 1.91 Å. The Te(1)-O(6) bond length is 1.92 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Nd(1) and one Te(1) atom. In the second O site, O(1) is bonded to one Nd(1), two equivalent Nd(2), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONd3Te tetrahedra. In the third O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONd3Te tetrahedra. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Te(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Te(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 Te(1) atom.