LuB4 crystallizes in the tetragonal P4/mbm space group. Lu(1) is bonded in a 18-coordinate geometry to four equivalent B(3), six equivalent B(2), and eight equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Lu(1), one B(3), and four equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), one B(2), two equivalent B(1), and two equivalent B(3) atoms. In the third B site, B(2) is bonded in a distorted trigonal planar geometry to six equivalent Lu(1), one B(2), and two equivalent B(1) atoms.
LuB4 crystallizes in the tetragonal P4/mbm space group. Lu(1) is bonded in a 18-coordinate geometry to four equivalent B(3), six equivalent B(2), and eight equivalent B(1) atoms. All Lu(1)-B(3) bond lengths are 2.69 Å. There are four shorter (2.80 Å) and two longer (3.04 Å) Lu(1)-B(2) bond lengths. There are four shorter (2.70 Å) and four longer (2.79 Å) Lu(1)-B(1) bond lengths. There are three inequivalent B sites. In the first B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Lu(1), one B(3), and four equivalent B(1) atoms. The B(3)-B(3) bond length is 1.60 Å. All B(3)-B(1) bond lengths are 1.73 Å. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), one B(2), two equivalent B(1), and two equivalent B(3) atoms. The B(1)-B(2) bond length is 1.69 Å. Both B(1)-B(1) bond lengths are 1.79 Å. In the third B site, B(2) is bonded in a distorted trigonal planar geometry to six equivalent Lu(1), one B(2), and two equivalent B(1) atoms. The B(2)-B(2) bond length is 1.72 Å.