Materials Data on FeSiGe by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279898· OSTI ID:1279898

FeSiGe is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 8-coordinate geometry to four equivalent Ge2+ and four equivalent Si4- atoms. There are two shorter (2.40 Å) and two longer (2.43 Å) Fe–Ge bond lengths. There are two shorter (2.38 Å) and two longer (2.46 Å) Fe–Si bond lengths. In the second Fe2+ site, Fe2+ is bonded in a 8-coordinate geometry to four equivalent Ge2+ and four equivalent Si4- atoms. There are two shorter (2.41 Å) and two longer (2.49 Å) Fe–Ge bond lengths. There are two shorter (2.37 Å) and two longer (2.50 Å) Fe–Si bond lengths. Ge2+ is bonded in a 7-coordinate geometry to four Fe2+ and three equivalent Si4- atoms. There are a spread of Ge–Si bond distances ranging from 2.54–2.68 Å. Si4- is bonded in a 9-coordinate geometry to four Fe2+, three equivalent Ge2+, and two equivalent Si4- atoms. There are one shorter (2.53 Å) and one longer (2.57 Å) Si–Si bond lengths.

• 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: 1279898
• Report Number(s): mp-640075
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Fe-Ge-Si
FeSiGe
crystal structure