Materials Data on TbZn12 by Materials Project

TbZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.09–3.38 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Tb and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnTb2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.72 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Tb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.70–2.95 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Tb and nine Zn atoms. The Zn–Zn bond length is 2.58 Å.