Materials Data on Zn by Materials Project

Abstract

Zn is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded to sixteen Zn atoms to form ZnZn16 cuboctahedra that share corners with twenty-five ZnZn12 cuboctahedra, edges with twenty-one ZnZn16 cuboctahedra, and faces with thirty-five ZnZn16 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.65–5.31 Å.