GdMoB4 crystallizes in the orthorhombic Pbam space group. Gd(1) is bonded in a 18-coordinate geometry to four equivalent Mo(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Mo(1) is bonded in a 15-coordinate geometry to four equivalent Gd(1), one Mo(1), two equivalent B(1), two equivalent B(2), two equivalent B(4), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mo(1), one B(2), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mo(1), one B(1), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), four 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 four equivalent Gd(1), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms.
GdMoB4 crystallizes in the orthorhombic Pbam space group. Gd(1) is bonded in a 18-coordinate geometry to four equivalent Mo(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. There are a spread of Gd(1)-Mo(1) bond distances ranging from 3.12-3.15 Å. Both Gd(1)-B(3) bond lengths are 2.70 Å. There are two shorter (2.79 Å) and two longer (2.82 Å) Gd(1)-B(1) bond lengths. There are two shorter (2.78 Å) and two longer (2.82 Å) Gd(1)-B(2) bond lengths. There are two shorter (2.75 Å) and two longer (2.84 Å) Gd(1)-B(4) bond lengths. Mo(1) is bonded in a 15-coordinate geometry to four equivalent Gd(1), one Mo(1), two equivalent B(1), two equivalent B(2), two equivalent B(4), and four equivalent B(3) atoms. The Mo(1)-Mo(1) bond length is 2.50 Å. Both Mo(1)-B(1) bond lengths are 2.39 Å. Both Mo(1)-B(2) bond lengths are 2.40 Å. Both Mo(1)-B(4) bond lengths are 2.42 Å. All Mo(1)-B(3) bond lengths are 2.39 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mo(1), one B(2), and two equivalent B(4) atoms. The B(1)-B(2) bond length is 1.87 Å. There is one shorter (1.83 Å) and one longer (1.88 Å) B(1)-B(4) bond length. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mo(1), one B(1), one B(2), and one B(3) atom. The B(2)-B(2) bond length is 1.80 Å. The B(2)-B(3) bond length is 1.79 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), four equivalent Mo(1), one B(2), one B(3), and one B(4) atom. The B(3)-B(3) bond length is 1.77 Å. The B(3)-B(4) bond length is 1.79 Å. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mo(1), one B(3), and two equivalent B(1) atoms.