Materials Data on U3TlF13 by Materials Project
Abstract
U3TlF13 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.26–2.47 Å. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.23–2.46 Å. Tl1+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.80–3.38 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two U4+ and one Tl1+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent U4+ and one Tl1+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent U4+ and two equivalent Tl1+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonalmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208070
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; U3TlF13; F-Tl-U
- OSTI Identifier:
- 1748597
- DOI:
- https://doi.org/10.17188/1748597
Citation Formats
The Materials Project. Materials Data on U3TlF13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748597.
The Materials Project. Materials Data on U3TlF13 by Materials Project. United States. doi:https://doi.org/10.17188/1748597
The Materials Project. 2020.
"Materials Data on U3TlF13 by Materials Project". United States. doi:https://doi.org/10.17188/1748597. https://www.osti.gov/servlets/purl/1748597. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1748597,
title = {Materials Data on U3TlF13 by Materials Project},
author = {The Materials Project},
abstractNote = {U3TlF13 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.26–2.47 Å. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.23–2.46 Å. Tl1+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.80–3.38 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two U4+ and one Tl1+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent U4+ and one Tl1+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent U4+ and two equivalent Tl1+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent U4+ and one Tl1+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two U4+ and one Tl1+ atom. In the seventh F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three U4+ atoms. In the eighth F1- site, F1- is bonded in a distorted linear geometry to two equivalent U4+ atoms. In the ninth F1- site, F1- is bonded in a 3-coordinate geometry to two U4+ and one Tl1+ atom.},
doi = {10.17188/1748597},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}