Materials Data on Er3(FeGe)4 by Materials Project

Dataset · Mon May 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1742281· OSTI ID:1742281

Er3(FeGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to six Ge atoms to form distorted edge-sharing ErGe6 octahedra. There are four shorter (2.92 Å) and two longer (2.98 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to six equivalent Fe and six Ge atoms. There are two shorter (2.92 Å) and four longer (3.06 Å) Er–Fe bond lengths. There are two shorter (2.91 Å) and four longer (3.02 Å) Er–Ge bond lengths. Fe is bonded in a 4-coordinate geometry to three equivalent Er, one Fe, and four Ge atoms. The Fe–Fe bond length is 2.43 Å. There are three shorter (2.50 Å) and one longer (2.57 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Er and six equivalent Fe atoms. In the second 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 2.63 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: 1742281
• Report Number(s): mp-1103481
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-Fe-Ge
Er3(FeGe)4
crystal structure