UMoB4 crystallizes in the orthorhombic Pbam space group. U(1) is bonded in a 18-coordinate geometry to four equivalent Mo(1), two equivalent B(4), four equivalent B(1), four equivalent B(2), and four equivalent B(3) atoms. Mo(1) is bonded in a 15-coordinate geometry to four equivalent U(1), one Mo(1), two equivalent B(1), two equivalent B(2), two equivalent B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Mo(1), one B(4), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Mo(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent U(1), four equivalent Mo(1), one B(1), one B(3), and one B(4) atom.
UMoB4 crystallizes in the orthorhombic Pbam space group. U(1) is bonded in a 18-coordinate geometry to four equivalent Mo(1), two equivalent B(4), four equivalent B(1), four equivalent B(2), and four equivalent B(3) atoms. There are a spread of U(1)-Mo(1) bond distances ranging from 2.97-3.12 Å. Both U(1)-B(4) bond lengths are 2.67 Å. There are two shorter (2.73 Å) and two longer (2.81 Å) U(1)-B(1) bond lengths. There are two shorter (2.75 Å) and two longer (2.79 Å) U(1)-B(2) bond lengths. There are two shorter (2.76 Å) and two longer (2.79 Å) U(1)-B(3) bond lengths. Mo(1) is bonded in a 15-coordinate geometry to four equivalent U(1), one Mo(1), two equivalent B(1), two equivalent B(2), two equivalent B(3), and four equivalent B(4) atoms. The Mo(1)-Mo(1) bond length is 2.67 Å. Both Mo(1)-B(1) bond lengths are 2.38 Å. Both Mo(1)-B(2) bond lengths are 2.33 Å. Both Mo(1)-B(3) bond lengths are 2.39 Å. There are two shorter (2.43 Å) and two longer (2.44 Å) Mo(1)-B(4) bond lengths. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Mo(1), one B(4), and two equivalent B(2) atoms. The B(1)-B(4) bond length is 1.77 Å. There is one shorter (1.75 Å) and one longer (1.88 Å) B(1)-B(2) bond length. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms. The B(2)-B(3) bond length is 1.85 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent U(1), two equivalent Mo(1), one B(2), one B(3), and one B(4) atom. The B(3)-B(3) bond length is 1.74 Å. The B(3)-B(4) bond length is 1.76 Å. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent U(1), four equivalent Mo(1), one B(1), one B(3), and one B(4) atom. The B(4)-B(4) bond length is 1.74 Å.