NdMoBO6 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(4), two equivalent O(6), and three equivalent O(2) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(3) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Nd(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and two equivalent B(1) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Nd(1) and one B(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Nd(1) and two equivalent Mo(1) atoms. In the fifth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the sixth O site, O(5) is bonded in a linear geometry to one Nd(1) and one Mo(1) atom.
NdMoBO6 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(4), two equivalent O(6), and three equivalent O(2) atoms. The Nd(1)-O(1) bond length is 2.56 Å. The Nd(1)-O(3) bond length is 2.91 Å. The Nd(1)-O(5) bond length is 2.41 Å. There is one shorter (2.41 Å) and one longer (2.47 Å) Nd(1)-O(4) bond length. There is one shorter (2.55 Å) and one longer (3.04 Å) Nd(1)-O(6) bond length. There are a spread of Nd(1)-O(2) bond distances ranging from 2.41-3.01 Å. Mo(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(3) atoms. The Mo(1)-O(4) bond length is 1.86 Å. The Mo(1)-O(5) bond length is 1.78 Å. The Mo(1)-O(6) bond length is 1.82 Å. There is one shorter (1.79 Å) and one longer (2.41 Å) Mo(1)-O(3) bond length. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. The B(1)-O(2) bond length is 1.34 Å. Both B(1)-O(1) bond lengths are 1.41 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Nd(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and two equivalent B(1) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Nd(1) and one B(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Nd(1) and two equivalent Mo(1) atoms. In the fifth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the sixth O site, O(5) is bonded in a linear geometry to one Nd(1) and one Mo(1) atom.