Materials Data on Er3FeGe3 by Materials Project

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

DOI:https://doi.org/10.17188/1699061· OSTI ID:1699061

Er3FeGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 9-coordinate geometry to six Ge atoms. There are four shorter (2.94 Å) and two longer (3.04 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 1-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.90–3.06 Å. Fe is bonded to four equivalent Ge atoms to form distorted edge-sharing FeGe4 cuboctahedra. All Fe–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Er and two equivalent Ge 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: 1699061
• Report Number(s): mp-1104653
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-Fe-Ge
Er3FeGe3
crystal structure