Materials Data on Y5(FeTe)2 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1193356· OSTI ID:1193356

Y5(FeTe)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to three Fe and four equivalent Te atoms. There are one shorter (2.82 Å) and two longer (2.94 Å) Y–Fe bond lengths. There are two shorter (3.31 Å) and two longer (3.35 Å) Y–Te bond lengths. In the second Y site, Y is bonded in a 6-coordinate geometry to three Fe and three equivalent Te atoms. There are one shorter (2.91 Å) and two longer (2.93 Å) Y–Fe bond lengths. There are one shorter (3.19 Å) and two longer (3.20 Å) Y–Te bond lengths. In the third Y site, Y is bonded in a 4-coordinate geometry to two Fe and two equivalent Te atoms. There are one shorter (2.99 Å) and one longer (3.44 Å) Y–Fe bond lengths. Both Y–Te bond lengths are 3.22 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to seven Y and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.29 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to seven Y and two equivalent Fe atoms. Te is bonded in a 8-coordinate geometry to eight Y 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: 1193356
• Report Number(s): mp-18706
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Fe-Te-Y
Y5(FeTe)2
crystal structure