Ba4Ni3Ge20 crystallizes in the cubic Pm-3n space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ge(1) and twelve equivalent Ge(2) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to eight equivalent Ge(2) atoms. Ni(1) is bonded in a tetrahedral geometry to four equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(1), and three equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ni(1), and two equivalent Ge(1) atoms.
Ba4Ni3Ge20 crystallizes in the cubic Pm-3n space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ge(1) and twelve equivalent Ge(2) atoms. All Ba(1)-Ge(1) bond lengths are 3.41 Å. All Ba(1)-Ge(2) bond lengths are 3.72 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to eight equivalent Ge(2) atoms. All Ba(2)-Ge(2) bond lengths are 3.56 Å. Ni(1) is bonded in a tetrahedral geometry to four equivalent Ge(2) atoms. All Ni(1)-Ge(2) bond lengths are 2.34 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(1), and three equivalent Ge(2) atoms. The Ge(1)-Ge(1) bond length is 2.50 Å. All Ge(1)-Ge(2) bond lengths are 2.56 Å. In the second Ge site, Ge(2) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ni(1), and two equivalent Ge(1) atoms.