Materials Data on Re by Materials Project

Dataset · Mon Jul 20 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314713· OSTI ID:1314713

Re is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Re sites. In the first Re site, Re is bonded to twelve Re atoms to form ReRe12 cuboctahedra that share corners with eighteen ReRe16 cuboctahedra, edges with eighteen ReRe12 cuboctahedra, and faces with twenty ReRe12 cuboctahedra. There are six shorter (2.76 Å) and six longer (2.78 Å) Re–Re bond lengths. In the second Re site, Re is bonded to twelve Re atoms to form a mixture of edge, face, and corner-sharing ReRe12 cuboctahedra. There are three shorter (2.77 Å) and six longer (2.78 Å) Re–Re bond lengths. In the third Re site, Re is bonded to twelve Re atoms to form a mixture of edge, face, and corner-sharing ReRe12 cuboctahedra. There are six shorter (2.76 Å) and six longer (2.78 Å) Re–Re bond lengths. In the fourth Re site, Re is bonded to twelve Re atoms to form ReRe12 cuboctahedra that share corners with twenty ReRe16 cuboctahedra, edges with nineteen ReRe12 cuboctahedra, and faces with twenty-two ReRe12 cuboctahedra. There are three shorter (2.77 Å) and six longer (2.78 Å) Re–Re bond lengths. In the fifth Re site, Re is bonded to sixteen Re atoms to form ReRe16 cuboctahedra that share corners with twenty-five ReRe12 cuboctahedra, edges with twenty-one ReRe16 cuboctahedra, and faces with thirty-five ReRe16 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.78–5.57 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: 1314713
• Report Number(s): mp-975065
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Re
crystal structure