ZnBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Zn(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form a mixture of distorted corner, edge, and face-sharing BiZn4Bi8 cuboctahedra. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms.
ZnBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms. All Zn(1)-Bi(1) bond lengths are 3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to four equivalent Zn(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form a mixture of distorted corner, edge, and face-sharing BiZn4Bi8 cuboctahedra. All Bi(1)-Bi(1) bond lengths are 3.57 Å. All Bi(1)-Bi(2) bond lengths are 3.40 Å. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Bi(1) atoms.