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Title: Materials Data on PrUTe6 by Materials Project

Abstract

UPrTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UPrTe6 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 3.18–3.26 Å. Pr3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Pr–Te bond distances ranging from 3.29–3.41 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Pr3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Pr3+ atom. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Pr3+ atoms. In the fifth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1-more » is bonded in a 6-coordinate geometry to two equivalent Pr3+ and four equivalent Te1- atoms.« less

Publication Date:
Other Number(s):
mp-1219811
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PrUTe6; Pr-Te-U
OSTI Identifier:
1744334
DOI:
https://doi.org/10.17188/1744334

Citation Formats

The Materials Project. Materials Data on PrUTe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744334.
The Materials Project. Materials Data on PrUTe6 by Materials Project. United States. doi:https://doi.org/10.17188/1744334
The Materials Project. 2020. "Materials Data on PrUTe6 by Materials Project". United States. doi:https://doi.org/10.17188/1744334. https://www.osti.gov/servlets/purl/1744334. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744334,
title = {Materials Data on PrUTe6 by Materials Project},
author = {The Materials Project},
abstractNote = {UPrTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UPrTe6 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 3.18–3.26 Å. Pr3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Pr–Te bond distances ranging from 3.29–3.41 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Pr3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Pr3+ atom. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Pr3+ atoms. In the fifth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Pr3+ and four equivalent Te1- atoms.},
doi = {10.17188/1744334},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}