NdMo8O14 crystallizes in the orthorhombic Aea2 space group. Nd(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), one O(6), one O(7), and one O(8) atom to form MoO5 square pyramids that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(1)O5 square pyramid, corners with two equivalent Mo(3)O5 square pyramids, corners with three equivalent Mo(4)O5 square pyramids, and  an edgeedge with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(1)O5 square pyramid,  a cornercorner with one Mo(3)O5 square pyramid, corners with two equivalent Mo(4)O5 square pyramids,  an edgeedge with one Mo(1)O5 square pyramid,  an edgeedge with one Mo(4)O5 square pyramid, and edges with two equivalent Mo(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 13°. In the third Mo site, Mo(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MoO5 square pyramids that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O5 square pyramid, corners with two equivalent Mo(1)O5 square pyramids, corners with three equivalent Mo(4)O5 square pyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(8) atom to form MoO5 square pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with three equivalent Mo(1)O5 square pyramids, corners with three equivalent Mo(3)O5 square pyramids, and  an edgeedge with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the second O site, O(2) is bonded in a see-saw-like geometry to two equivalent Mo(2) and two equivalent Mo(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nd(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nd(1), one Mo(2), one Mo(3), and one Mo(4) atom. In the fifth O site, O(5) is bonded to one Nd(1), one Mo(2), one Mo(3), and one Mo(4) atom to form a mixture of corner and edge-sharing ONdMo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Nd(1), one Mo(1), one Mo(3), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing ONdMo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mo(1), one Mo(2), and one Mo(4) atom.
NdMo8O14 crystallizes in the orthorhombic Aea2 space group. Nd(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. The Nd(1)-O(3) bond length is 2.18 Å. Both Nd(1)-O(4) bond lengths are 2.84 Å. Both Nd(1)-O(5) bond lengths are 2.62 Å. Both Nd(1)-O(6) bond lengths are 2.65 Å. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), one O(6), one O(7), and one O(8) atom to form MoO5 square pyramids that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(1)O5 square pyramid, corners with two equivalent Mo(3)O5 square pyramids, corners with three equivalent Mo(4)O5 square pyramids, and  an edgeedge with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. The Mo(1)-O(1) bond length is 2.09 Å. The Mo(1)-O(3) bond length is 2.08 Å. The Mo(1)-O(6) bond length is 2.19 Å. The Mo(1)-O(7) bond length is 2.02 Å. The Mo(1)-O(8) bond length is 2.13 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(1)O5 square pyramid,  a cornercorner with one Mo(3)O5 square pyramid, corners with two equivalent Mo(4)O5 square pyramids,  an edgeedge with one Mo(1)O5 square pyramid,  an edgeedge with one Mo(4)O5 square pyramid, and edges with two equivalent Mo(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 13°. The Mo(2)-O(1) bond length is 2.10 Å. The Mo(2)-O(2) bond length is 2.24 Å. The Mo(2)-O(4) bond length is 2.19 Å. The Mo(2)-O(5) bond length is 2.21 Å. The Mo(2)-O(7) bond length is 2.12 Å. The Mo(2)-O(8) bond length is 2.16 Å. In the third Mo site, Mo(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MoO5 square pyramids that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O5 square pyramid, corners with two equivalent Mo(1)O5 square pyramids, corners with three equivalent Mo(4)O5 square pyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Mo(3)-O(2) bond length is 2.14 Å. The Mo(3)-O(4) bond length is 2.17 Å. The Mo(3)-O(5) bond length is 2.15 Å. The Mo(3)-O(6) bond length is 2.15 Å. The Mo(3)-O(7) bond length is 2.07 Å. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(8) atom to form MoO5 square pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with three equivalent Mo(1)O5 square pyramids, corners with three equivalent Mo(3)O5 square pyramids, and  an edgeedge with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-50°. The Mo(4)-O(1) bond length is 2.00 Å. The Mo(4)-O(4) bond length is 2.06 Å. The Mo(4)-O(5) bond length is 2.19 Å. The Mo(4)-O(6) bond length is 2.10 Å. The Mo(4)-O(8) bond length is 1.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the second O site, O(2) is bonded in a see-saw-like geometry to two equivalent Mo(2) and two equivalent Mo(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nd(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nd(1), one Mo(2), one Mo(3), and one Mo(4) atom. In the fifth O site, O(5) is bonded to one Nd(1), one Mo(2), one Mo(3), and one Mo(4) atom to form a mixture of corner and edge-sharing ONdMo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Nd(1), one Mo(1), one Mo(3), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing ONdMo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mo(1), one Mo(2), and one Mo(4) atom.