Materials Data on Er3Fe2Ge3 by Materials Project

Dataset · Thu Jul 19 04:00:00 EDT 2018

DOI:https://doi.org/10.17188/1679733· OSTI ID:1679733

Er3Fe2Ge3 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 2-coordinate geometry to four equivalent Fe and seven Ge atoms. There are a spread of Er–Fe bond distances ranging from 3.02–3.14 Å. There are a spread of Er–Ge bond distances ranging from 2.96–3.28 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to four equivalent Fe and five Ge atoms. All Er–Fe bond lengths are 3.17 Å. There are a spread of Er–Ge bond distances ranging from 2.87–3.25 Å. Fe is bonded in a 4-coordinate geometry to six Er and four Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.36–2.59 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Er, three equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.84 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Er and two equivalent Fe 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: 1679733
• Report Number(s): mp-1106108
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-Fe-Ge
Er3Fe2Ge3
crystal structure