Materials Data on ErZn12 by Materials Project
ErZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.15–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr2Zn10 cuboctahedra. There are two shorter (2.59 Å) and four longer (2.73 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Er and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.