LiNd2Tl(MoO4)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(7) and two equivalent O(8) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(6), and one O(8) atom. Tl(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mo(1) and one Tl(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Nd(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1), one Mo(1), and one Tl(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mo(2) atom.
LiNd2Tl(MoO4)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(7) and two equivalent O(8) atoms. Both Li(1)-O(7) bond lengths are 2.12 Å. Both Li(1)-O(8) bond lengths are 2.06 Å. Nd(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. The Nd(1)-O(5) bond length is 2.38 Å. The Nd(1)-O(6) bond length is 2.47 Å. There is one shorter (2.45 Å) and one longer (2.51 Å) Nd(1)-O(1) bond length. There is one shorter (2.51 Å) and one longer (2.55 Å) Nd(1)-O(3) bond length. There is one shorter (2.51 Å) and one longer (2.57 Å) Nd(1)-O(4) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(5), and one O(7) atom. The Mo(1)-O(1) bond length is 1.87 Å. The Mo(1)-O(2) bond length is 1.76 Å. The Mo(1)-O(5) bond length is 1.81 Å. The Mo(1)-O(7) bond length is 1.78 Å. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(6), and one O(8) atom. The Mo(2)-O(3) bond length is 1.85 Å. The Mo(2)-O(4) bond length is 1.86 Å. The Mo(2)-O(6) bond length is 1.79 Å. The Mo(2)-O(8) bond length is 1.76 Å. Tl(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(7) atoms. Both Tl(1)-O(2) bond lengths are 2.81 Å. Both Tl(1)-O(7) bond lengths are 2.80 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mo(1) and one Tl(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Nd(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1), one Mo(1), and one Tl(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mo(2) atom.