Materials Data on ErUTe6 by Materials Project

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

DOI:https://doi.org/10.17188/1747735· OSTI ID:1747735

UErTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UErTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.22–3.24 Å. Er3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are five shorter (3.23 Å) and four longer (3.25 Å) Er–Te bond lengths. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.08 Å. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Er3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.08 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Er3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Er3+ atom. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Er3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent U3+ and four equivalent Te1- 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: 1747735
• Report Number(s): mp-1225699
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-Te-U
ErUTe6
crystal structure