ScOs3B4 crystallizes in the orthorhombic Cmcm space group. Sc(1) is bonded in a 4-coordinate geometry to four equivalent Os(2), two equivalent B(1), and four equivalent B(3) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 6-coordinate geometry to one B(2), two equivalent B(1), and three equivalent B(3) atoms. In the second Os site, Os(2) is bonded in a 10-coordinate geometry to four equivalent Sc(1), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Os(2), and four equivalent Os(1) atoms. In the second B site, B(2) is bonded in a 8-coordinate geometry to two equivalent Os(1), two equivalent Os(2), and four equivalent B(3) atoms. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Sc(1), one Os(2), three equivalent Os(1), and two equivalent B(2) atoms.
ScOs3B4 crystallizes in the orthorhombic Cmcm space group. Sc(1) is bonded in a 4-coordinate geometry to four equivalent Os(2), two equivalent B(1), and four equivalent B(3) atoms. All Sc(1)-Os(2) bond lengths are 2.88 Å. Both Sc(1)-B(1) bond lengths are 2.90 Å. All Sc(1)-B(3) bond lengths are 2.60 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 6-coordinate geometry to one B(2), two equivalent B(1), and three equivalent B(3) atoms. The Os(1)-B(2) bond length is 2.25 Å. Both Os(1)-B(1) bond lengths are 2.21 Å. There is one shorter (2.21 Å) and two longer (2.24 Å) Os(1)-B(3) bond lengths. In the second Os site, Os(2) is bonded in a 10-coordinate geometry to four equivalent Sc(1), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. Both Os(2)-B(1) bond lengths are 2.23 Å. Both Os(2)-B(2) bond lengths are 2.21 Å. Both Os(2)-B(3) bond lengths are 2.21 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Os(2), and four equivalent Os(1) atoms. In the second B site, B(2) is bonded in a 8-coordinate geometry to two equivalent Os(1), two equivalent Os(2), and four equivalent B(3) atoms. All B(2)-B(3) bond lengths are 2.03 Å. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Sc(1), one Os(2), three equivalent Os(1), and two equivalent B(2) atoms.