U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-1219811
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Pr-Te-U; PrUTe6; crystal structure
- OSTI Identifier:
- 1744334
- DOI:
- https://doi.org/10.17188/1744334
Citation Formats
Materials Data on PrUTe6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744334.
Materials Data on PrUTe6 by Materials Project. United States. doi:https://doi.org/10.17188/1744334
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},
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}
}