Sc6Co16Si7 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a 12-coordinate geometry to four equivalent Co(1), four equivalent Co(2), and four equivalent Si(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a distorted q6 geometry to three equivalent Sc(1), three equivalent Co(1), three equivalent Co(2), and three equivalent Si(2) atoms. In the second Co site, Co(1) is bonded in a 13-coordinate geometry to three equivalent Sc(1), three equivalent Co(1), three equivalent Co(2), one Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded to four equivalent Sc(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of face and corner-sharing SiSc4Co8 cuboctahedra. In the second Si site, Si(1) is bonded in a body-centered cubic geometry to eight equivalent Co(1) atoms.
Sc6Co16Si7 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a 12-coordinate geometry to four equivalent Co(1), four equivalent Co(2), and four equivalent Si(2) atoms. All Sc(1)-Co(1) bond lengths are 2.72 Å. All Sc(1)-Co(2) bond lengths are 2.84 Å. All Sc(1)-Si(2) bond lengths are 2.88 Å. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a distorted q6 geometry to three equivalent Sc(1), three equivalent Co(1), three equivalent Co(2), and three equivalent Si(2) atoms. All Co(2)-Co(1) bond lengths are 2.50 Å. All Co(2)-Co(2) bond lengths are 2.47 Å. All Co(2)-Si(2) bond lengths are 2.33 Å. In the second Co site, Co(1) is bonded in a 13-coordinate geometry to three equivalent Sc(1), three equivalent Co(1), three equivalent Co(2), one Si(1), and three equivalent Si(2) atoms. All Co(1)-Co(1) bond lengths are 2.75 Å. The Co(1)-Si(1) bond length is 2.38 Å. All Co(1)-Si(2) bond lengths are 2.50 Å. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded to four equivalent Sc(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of face and corner-sharing SiSc4Co8 cuboctahedra. In the second Si site, Si(1) is bonded in a body-centered cubic geometry to eight equivalent Co(1) atoms.