Materials Data on Mg3Tc by Materials Project

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

DOI:https://doi.org/10.17188/1709725· OSTI ID:1709725

Mg3Tc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Tc atoms to form distorted MgMg8Tc4 cuboctahedra that share corners with four equivalent TcMg12 cuboctahedra, corners with fourteen equivalent MgMg8Tc4 cuboctahedra, edges with six equivalent TcMg12 cuboctahedra, edges with twelve equivalent MgMg8Tc4 cuboctahedra, faces with four equivalent TcMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Tc4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.83–3.09 Å. There are two shorter (2.91 Å) and two longer (2.96 Å) Mg–Tc bond lengths. Tc is bonded to twelve equivalent Mg atoms to form TcMg12 cuboctahedra that share corners with six equivalent TcMg12 cuboctahedra, corners with twelve equivalent MgMg8Tc4 cuboctahedra, edges with eighteen equivalent MgMg8Tc4 cuboctahedra, faces with eight equivalent TcMg12 cuboctahedra, and faces with twelve equivalent MgMg8Tc4 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: 1709725
• Report Number(s): mp-1185796
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mg-Tc
Mg3Tc
crystal structure