Materials Data on Re3Tc by Materials Project

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

DOI:https://doi.org/10.17188/1314484· OSTI ID:1314484

Re3Tc is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to eight equivalent Re and four equivalent Tc atoms to form ReRe8Tc4 cuboctahedra that share corners with four equivalent TcRe12 cuboctahedra, corners with fourteen equivalent ReRe8Tc4 cuboctahedra, edges with six equivalent TcRe12 cuboctahedra, edges with twelve equivalent ReRe8Tc4 cuboctahedra, faces with four equivalent TcRe12 cuboctahedra, and faces with sixteen equivalent ReRe8Tc4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.75–2.79 Å. There are two shorter (2.76 Å) and two longer (2.78 Å) Re–Tc bond lengths. Tc is bonded to twelve equivalent Re atoms to form TcRe12 cuboctahedra that share corners with six equivalent TcRe12 cuboctahedra, corners with twelve equivalent ReRe8Tc4 cuboctahedra, edges with eighteen equivalent ReRe8Tc4 cuboctahedra, faces with eight equivalent TcRe12 cuboctahedra, and faces with twelve equivalent ReRe8Tc4 cuboctahedra.

• 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: 1314484
• Report Number(s): mp-974411
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Re-Tc
Re3Tc
crystal structure