Materials Data on Er3Fe2Si3 by Materials Project

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

DOI:https://doi.org/10.17188/1689516· OSTI ID:1689516

Er3Fe2Si3 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 4-coordinate geometry to four equivalent Fe and five Si atoms. All Er–Fe bond lengths are 3.16 Å. There are four shorter (2.84 Å) and one longer (3.25 Å) Er–Si bond lengths. In the second Er site, Er is bonded in a 10-coordinate geometry to four equivalent Fe and seven Si atoms. There are a spread of Er–Fe bond distances ranging from 2.96–3.09 Å. There are a spread of Er–Si bond distances ranging from 2.92–3.26 Å. Fe is bonded in a 10-coordinate geometry to six Er and four Si atoms. There are a spread of Fe–Si bond distances ranging from 2.31–2.57 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Er and two equivalent Fe atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six Er, three equivalent Fe, and one Si atom. The Si–Si bond length is 2.80 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: 1689516
• Report Number(s): mp-1212880
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-Fe-Si
Er3Fe2Si3
crystal structure