DyMoB3 crystallizes in the monoclinic P2_1/m space group. Dy(1) is bonded in a 10-coordinate geometry to three equivalent B(2), three equivalent B(3), and four equivalent B(1) atoms. Mo(1) is bonded in a 9-coordinate geometry to three equivalent B(1), three equivalent B(2), and three equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Dy(1), three equivalent Mo(1), and two equivalent B(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Dy(1), three equivalent Mo(1), one B(3), and two equivalent B(2) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to three equivalent Dy(1), three equivalent Mo(1), one B(2), and two equivalent B(3) atoms.
DyMoB3 crystallizes in the monoclinic P2_1/m space group. Dy(1) is bonded in a 10-coordinate geometry to three equivalent B(2), three equivalent B(3), and four equivalent B(1) atoms. There are two shorter (2.63 Å) and one longer (2.68 Å) Dy(1)-B(2) bond length. There are two shorter (2.63 Å) and one longer (2.70 Å) Dy(1)-B(3) bond length. There are a spread of Dy(1)-B(1) bond distances ranging from 2.76-3.21 Å. Mo(1) is bonded in a 9-coordinate geometry to three equivalent B(1), three equivalent B(2), and three equivalent B(3) atoms. There is one shorter (2.28 Å) and two longer (2.34 Å) Mo(1)-B(1) bond lengths. There is one shorter (2.31 Å) and two longer (2.34 Å) Mo(1)-B(2) bond lengths. There is one shorter (2.33 Å) and two longer (2.37 Å) Mo(1)-B(3) bond lengths. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Dy(1), three equivalent Mo(1), and two equivalent B(1) atoms. Both B(1)-B(1) bond lengths are 1.81 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Dy(1), three equivalent Mo(1), one B(3), and two equivalent B(2) atoms. The B(2)-B(3) bond length is 1.78 Å. Both B(2)-B(2) bond lengths are 1.84 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to three equivalent Dy(1), three equivalent Mo(1), one B(2), and two equivalent B(3) atoms. Both B(3)-B(3) bond lengths are 1.83 Å.