W3MnB4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(1), and four equivalent B(4) atoms. In the second W site, W(2) is bonded in a 11-coordinate geometry to four equivalent Mn(1), one B(3), two equivalent B(4), and four equivalent B(1) atoms. In the third W site, W(3) is bonded in a 7-coordinate geometry to one B(4), two equivalent B(3), and four equivalent B(2) atoms. Mn(1) is bonded in a 7-coordinate geometry to four equivalent W(2), one B(1), two equivalent B(2), 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 two equivalent W(1), four equivalent W(2), one Mn(1), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one W(1), four equivalent W(3), two equivalent Mn(1), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one W(2), two equivalent W(3), four equivalent Mn(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one W(3), two equivalent W(2), four equivalent W(1), and two equivalent B(1) atoms.
W3MnB4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(1), and four equivalent B(4) atoms. The W(1)-B(2) bond length is 2.50 Å. Both W(1)-B(1) bond lengths are 2.38 Å. All W(1)-B(4) bond lengths are 2.32 Å. In the second W site, W(2) is bonded in a 11-coordinate geometry to four equivalent Mn(1), one B(3), two equivalent B(4), and four equivalent B(1) atoms. All W(2)-Mn(1) bond lengths are 2.80 Å. The W(2)-B(3) bond length is 2.29 Å. Both W(2)-B(4) bond lengths are 2.33 Å. All W(2)-B(1) bond lengths are 2.30 Å. In the third W site, W(3) is bonded in a 7-coordinate geometry to one B(4), two equivalent B(3), and four equivalent B(2) atoms. The W(3)-B(4) bond length is 2.50 Å. Both W(3)-B(3) bond lengths are 2.35 Å. All W(3)-B(2) bond lengths are 2.31 Å. Mn(1) is bonded in a 7-coordinate geometry to four equivalent W(2), one B(1), two equivalent B(2), and four equivalent B(3) atoms. The Mn(1)-B(1) bond length is 2.41 Å. Both Mn(1)-B(2) bond lengths are 2.23 Å. All Mn(1)-B(3) bond lengths are 2.27 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent W(1), four equivalent W(2), one Mn(1), and two equivalent B(4) atoms. Both B(1)-B(4) bond lengths are 1.86 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to one W(1), four equivalent W(3), two equivalent Mn(1), and two equivalent B(3) atoms. Both B(2)-B(3) bond lengths are 1.84 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to one W(2), two equivalent W(3), four equivalent Mn(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one W(3), two equivalent W(2), four equivalent W(1), and two equivalent B(1) atoms.