Materials Data on ReTc3 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314509· OSTI ID:1314509

ReTc3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re7+ is bonded to twelve equivalent Tc+2.33- atoms to form ReTc12 cuboctahedra that share corners with six equivalent ReTc12 cuboctahedra, corners with twelve equivalent TcRe4Tc8 cuboctahedra, edges with eighteen equivalent TcRe4Tc8 cuboctahedra, faces with eight equivalent ReTc12 cuboctahedra, and faces with twelve equivalent TcRe4Tc8 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.76 Å) Re–Tc bond lengths. Tc+2.33- is bonded to four equivalent Re7+ and eight equivalent Tc+2.33- atoms to form TcRe4Tc8 cuboctahedra that share corners with four equivalent ReTc12 cuboctahedra, corners with fourteen equivalent TcRe4Tc8 cuboctahedra, edges with six equivalent ReTc12 cuboctahedra, edges with twelve equivalent TcRe4Tc8 cuboctahedra, faces with four equivalent ReTc12 cuboctahedra, and faces with sixteen equivalent TcRe4Tc8 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.74–2.78 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: 1314509
• Report Number(s): mp-974492
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Re-Tc
ReTc3
crystal structure