Materials Data on Zn by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1687451· OSTI ID:1687451

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.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1687451
• Report Number(s): mp-1187812
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Zn
crystal structure