PuB4 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a 18-coordinate geometry to two equivalent B(4), four equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(5) atoms. In the second Pu site, Pu(2) is bonded in a 18-coordinate geometry to two equivalent B(5), four equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), one B(5), two equivalent B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), one B(4), two equivalent B(1), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), one B(3), two equivalent B(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a distorted trigonal planar geometry to two equivalent Pu(1), four equivalent Pu(2), one B(4), and two equivalent B(2) atoms. In the fifth B site, B(5) is bonded in a distorted trigonal planar geometry to two equivalent Pu(2), four equivalent Pu(1), one B(5), and two equivalent B(1) atoms.
PuB4 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Pu sites. In the first Pu site, Pu(1) is bonded in a 18-coordinate geometry to two equivalent B(4), four equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(5) atoms. Both Pu(1)-B(4) bond lengths are 3.04 Å. All Pu(1)-B(1) bond lengths are 2.76 Å. All Pu(1)-B(2) bond lengths are 2.82 Å. All Pu(1)-B(3) bond lengths are 2.73 Å. All Pu(1)-B(5) bond lengths are 2.90 Å. In the second Pu site, Pu(2) is bonded in a 18-coordinate geometry to two equivalent B(5), four equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. Both Pu(2)-B(5) bond lengths are 3.06 Å. All Pu(2)-B(1) bond lengths are 2.82 Å. All Pu(2)-B(2) bond lengths are 2.76 Å. All Pu(2)-B(3) bond lengths are 2.72 Å. All Pu(2)-B(4) bond lengths are 2.90 Å. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), one B(5), two equivalent B(2), and two equivalent B(3) atoms. The B(1)-B(5) bond length is 1.72 Å. Both B(1)-B(2) bond lengths are 1.82 Å. Both B(1)-B(3) bond lengths are 1.76 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), one B(4), two equivalent B(1), and two equivalent B(3) atoms. The B(2)-B(4) bond length is 1.72 Å. Both B(2)-B(3) bond lengths are 1.76 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Pu(1), two equivalent Pu(2), one B(3), two equivalent B(1), and two equivalent B(2) atoms. The B(3)-B(3) bond length is 1.63 Å. In the fourth B site, B(4) is bonded in a distorted trigonal planar geometry to two equivalent Pu(1), four equivalent Pu(2), one B(4), and two equivalent B(2) atoms. The B(4)-B(4) bond length is 1.78 Å. In the fifth B site, B(5) is bonded in a distorted trigonal planar geometry to two equivalent Pu(2), four equivalent Pu(1), one B(5), and two equivalent B(1) atoms. The B(5)-B(5) bond length is 1.77 Å.