NdMoO15I4 crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(12), one O(14), one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. Mo(1) is bonded in a distorted octahedral geometry to one O(1), one O(13), one O(14), one O(15), one O(4), and one O(7) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one I(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Nd(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Nd(1) and one I(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one I(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one I(1) and one I(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one I(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one I(4) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Mo(1) and one I(4) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Nd(1) and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Mo(1) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom. In the fourth I site, I(4) is bonded in a distorted see-saw-like geometry to one O(10), one O(11), one O(12), and one O(13) atom.
NdMoO15I4 crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(12), one O(14), one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. The Nd(1)-O(12) bond length is 2.49 Å. The Nd(1)-O(14) bond length is 2.46 Å. The Nd(1)-O(2) bond length is 2.45 Å. The Nd(1)-O(3) bond length is 2.51 Å. The Nd(1)-O(5) bond length is 2.43 Å. The Nd(1)-O(6) bond length is 2.39 Å. The Nd(1)-O(8) bond length is 2.54 Å. The Nd(1)-O(9) bond length is 2.51 Å. Mo(1) is bonded in a distorted octahedral geometry to one O(1), one O(13), one O(14), one O(15), one O(4), and one O(7) atom. The Mo(1)-O(1) bond length is 2.10 Å. The Mo(1)-O(13) bond length is 1.89 Å. The Mo(1)-O(14) bond length is 1.76 Å. The Mo(1)-O(15) bond length is 1.76 Å. The Mo(1)-O(4) bond length is 2.19 Å. The Mo(1)-O(7) bond length is 2.25 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one I(1) atom. The O(1)-I(1) bond length is 1.87 Å. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(1) atom. The O(2)-I(1) bond length is 1.81 Å. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Nd(1) and one I(1) atom. The O(3)-I(1) bond length is 1.85 Å. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one I(2) atom. The O(4)-I(2) bond length is 1.88 Å. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(2) atom. The O(5)-I(2) bond length is 1.81 Å. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(2) atom. The O(6)-I(2) bond length is 1.81 Å. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one I(3) atom. The O(7)-I(3) bond length is 1.86 Å. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Nd(1) and one I(3) atom. The O(8)-I(3) bond length is 1.82 Å. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one I(3) atom. The O(9)-I(3) bond length is 1.83 Å. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one I(1) and one I(4) atom. The O(10)-I(1) bond length is 2.55 Å. The O(10)-I(4) bond length is 1.83 Å. In the eleventh O site, O(11) is bonded in a single-bond geometry to one I(4) atom. The O(11)-I(4) bond length is 1.84 Å. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one I(4) atom. The O(12)-I(4) bond length is 1.82 Å. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Mo(1) and one I(4) atom. The O(13)-I(4) bond length is 2.43 Å. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Nd(1) and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Mo(1) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom. In the fourth I site, I(4) is bonded in a distorted see-saw-like geometry to one O(10), one O(11), one O(12), and one O(13) atom.