DyMo3B7 crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded in a 12-coordinate geometry to one B(2), one B(4), two equivalent B(1), two equivalent B(3), two equivalent B(6), two equivalent B(7), and three equivalent B(5) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one B(1), one B(6), two equivalent B(4), two equivalent B(7), three equivalent B(2), and three equivalent B(3) atoms to form face-sharing MoB12 cuboctahedra. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one B(4), one B(7), two equivalent B(1), two equivalent B(6), and three equivalent B(5) atoms. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one B(3), one B(6), one B(7), two equivalent B(1), two equivalent B(2), and two equivalent B(4) atoms. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Mo(1), two equivalent Mo(2), two equivalent Mo(3), and two equivalent B(7) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Dy(1), two equivalent Mo(3), three equivalent Mo(1), one B(4), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Mo(3), three equivalent Mo(1), one B(7), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Dy(1), one Mo(2), two equivalent Mo(1), two equivalent Mo(3), one B(2), and two equivalent B(6) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to three equivalent Dy(1), three equivalent Mo(2), one B(6), and two equivalent B(5) atoms. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Mo(1), one Mo(3), two equivalent Mo(2), one B(5), and two equivalent B(4) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Mo(2), one Mo(3), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms.
DyMo3B7 crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded in a 12-coordinate geometry to one B(2), one B(4), two equivalent B(1), two equivalent B(3), two equivalent B(6), two equivalent B(7), and three equivalent B(5) atoms. The Dy(1)-B(2) bond length is 2.80 Å. The Dy(1)-B(4) bond length is 2.79 Å. There is one shorter (2.80 Å) and one longer (3.31 Å) Dy(1)-B(1) bond length. Both Dy(1)-B(3) bond lengths are 2.73 Å. Both Dy(1)-B(6) bond lengths are 2.68 Å. Both Dy(1)-B(7) bond lengths are 2.70 Å. There are two shorter (2.72 Å) and one longer (2.87 Å) Dy(1)-B(5) bond length. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one B(1), one B(6), two equivalent B(4), two equivalent B(7), three equivalent B(2), and three equivalent B(3) atoms to form face-sharing MoB12 cuboctahedra. The Mo(1)-B(1) bond length is 2.39 Å. The Mo(1)-B(6) bond length is 2.47 Å. Both Mo(1)-B(4) bond lengths are 2.43 Å. Both Mo(1)-B(7) bond lengths are 2.43 Å. There is one shorter (2.34 Å) and two longer (2.46 Å) Mo(1)-B(2) bond lengths. There are two shorter (2.41 Å) and one longer (2.54 Å) Mo(1)-B(3) bond length. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one B(4), one B(7), two equivalent B(1), two equivalent B(6), and three equivalent B(5) atoms. The Mo(2)-B(4) bond length is 2.23 Å. The Mo(2)-B(7) bond length is 2.33 Å. Both Mo(2)-B(1) bond lengths are 2.31 Å. Both Mo(2)-B(6) bond lengths are 2.30 Å. There is one shorter (2.25 Å) and two longer (2.31 Å) Mo(2)-B(5) bond lengths. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one B(3), one B(6), one B(7), two equivalent B(1), two equivalent B(2), and two equivalent B(4) atoms. The Mo(3)-B(3) bond length is 2.30 Å. The Mo(3)-B(6) bond length is 2.25 Å. The Mo(3)-B(7) bond length is 2.36 Å. Both Mo(3)-B(1) bond lengths are 2.34 Å. Both Mo(3)-B(2) bond lengths are 2.29 Å. Both Mo(3)-B(4) bond lengths are 2.24 Å. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Mo(1), two equivalent Mo(2), two equivalent Mo(3), and two equivalent B(7) atoms. Both B(1)-B(7) bond lengths are 1.81 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Dy(1), two equivalent Mo(3), three equivalent Mo(1), one B(4), and two equivalent B(3) atoms. The B(2)-B(4) bond length is 1.84 Å. Both B(2)-B(3) bond lengths are 1.79 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Mo(3), three equivalent Mo(1), one B(7), and two equivalent B(2) atoms. The B(3)-B(7) bond length is 1.76 Å. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Dy(1), one Mo(2), two equivalent Mo(1), two equivalent Mo(3), one B(2), and two equivalent B(6) atoms. Both B(4)-B(6) bond lengths are 1.81 Å. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to three equivalent Dy(1), three equivalent Mo(2), one B(6), and two equivalent B(5) atoms. The B(5)-B(6) bond length is 1.75 Å. Both B(5)-B(5) bond lengths are 1.82 Å. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Mo(1), one Mo(3), two equivalent Mo(2), one B(5), and two equivalent B(4) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Mo(2), one Mo(3), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms.