Zn6Sb5 crystallizes in the trigonal R-3c space group. Zn(1) is bonded in a 5-coordinate geometry to one Zn(1), one Sb(2), and three equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(2) is bonded in a 3-coordinate geometry to three equivalent Zn(1) atoms. In the second Sb site, Sb(1) is bonded to six equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing SbZn6 pentagonal pyramids.
Zn6Sb5 crystallizes in the trigonal R-3c space group. Zn(1) is bonded in a 5-coordinate geometry to one Zn(1), one Sb(2), and three equivalent Sb(1) atoms. The Zn(1)-Zn(1) bond length is 2.71 Å. The Zn(1)-Sb(2) bond length is 2.66 Å. There are a spread of Zn(1)-Sb(1) bond distances ranging from 2.72-2.78 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(2) is bonded in a 3-coordinate geometry to three equivalent Zn(1) atoms. In the second Sb site, Sb(1) is bonded to six equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing SbZn6 pentagonal pyramids.