WB2 crystallizes in the hexagonal P6_3/mmc space group. W(1) is bonded in a 10-coordinate geometry to three equivalent B(2), three equivalent B(3), and four equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to four equivalent W(1) and three equivalent B(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent W(1) and three equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to six equivalent W(1) and three equivalent B(2) atoms.
WB2 crystallizes in the hexagonal P6_3/mmc space group. W(1) is bonded in a 10-coordinate geometry to three equivalent B(2), three equivalent B(3), and four equivalent B(1) atoms. All W(1)-B(2) bond lengths are 2.36 Å. All W(1)-B(3) bond lengths are 2.36 Å. There is one shorter (2.22 Å) and three longer (2.34 Å) W(1)-B(1) bond lengths. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to four equivalent W(1) and three equivalent B(1) atoms. All B(1)-B(1) bond lengths are 1.86 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent W(1) and three equivalent B(3) atoms. All B(2)-B(3) bond lengths are 1.74 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to six equivalent W(1) and three equivalent B(2) atoms.