Nd3OsO7 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(2) and four equivalent O(3) atoms. In the second Nd site, Nd(2) is bonded to one O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted NdO7 pentagonal bipyramids that share corners with two equivalent Os(1)O6 octahedra, corners with three equivalent Nd(2)O7 pentagonal bipyramids, edges with two equivalent Os(1)O6 octahedra, and edges with two equivalent Nd(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. Os(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form OsO6 octahedra that share corners with two equivalent Os(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 37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(2) and two equivalent Os(1) atoms. 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 corner and edge-sharing ONd4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Os(1) atom.
Nd3OsO7 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(2) and four equivalent O(3) atoms. All Nd(1)-O(2) bond lengths are 2.39 Å. All Nd(1)-O(3) bond lengths are 2.73 Å. In the second Nd site, Nd(2) is bonded to one O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted NdO7 pentagonal bipyramids that share corners with two equivalent Os(1)O6 octahedra, corners with three equivalent Nd(2)O7 pentagonal bipyramids, edges with two equivalent Os(1)O6 octahedra, and edges with two equivalent Nd(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. The Nd(2)-O(1) bond length is 2.58 Å. There is one shorter (2.29 Å) and one longer (2.30 Å) Nd(2)-O(2) bond length. There are two shorter (2.44 Å) and two longer (2.47 Å) Nd(2)-O(3) bond lengths. Os(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form OsO6 octahedra that share corners with two equivalent Os(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 37°. Both Os(1)-O(1) bond lengths are 1.99 Å. All Os(1)-O(3) bond lengths are 1.97 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(2) and two equivalent Os(1) atoms. 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 corner and edge-sharing ONd4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Os(1) atom.