Materials Data on Pr2FeSn4 by Materials Project

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

DOI:https://doi.org/10.17188/1738687· OSTI ID:1738687

Pr2FeSn4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 11-coordinate geometry to one Fe and ten Sn atoms. The Pr–Fe bond length is 3.34 Å. There are a spread of Pr–Sn bond distances ranging from 3.32–3.45 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.39–3.69 Å. Fe is bonded in a 5-coordinate geometry to one Pr and five Sn atoms. There are a spread of Fe–Sn bond distances ranging from 2.49–2.52 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four Pr and two equivalent Fe atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to four Pr and two equivalent Fe atoms. In the third Sn site, Sn is bonded in a 1-coordinate geometry to six Pr, one Fe, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.06 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Pr and two equivalent Sn 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: 1738687
• Report Number(s): mp-1220032
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Fe-Pr-Sn
Pr2FeSn4
crystal structure