Materials Data on Mg2Sb by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1667246· OSTI ID:1667246

Mg2Sb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and six equivalent Sb atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.31 Å. There are two shorter (3.15 Å) and four longer (3.30 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four equivalent Sb atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Mg–Mg bond lengths. There are two shorter (3.12 Å) and two longer (3.25 Å) Mg–Sb bond lengths. Sb is bonded in a 12-coordinate geometry to ten Mg atoms.

• 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: 1667246
• Report Number(s): mp-1094554
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mg-Sb
Mg2Sb
crystal structure