U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThF4 by Materials Project
Abstract
ThF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Th–F bond distances ranging from 2.33–2.40 Å. In the second Th4+ site, Th4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Th–F bond distances ranging from 2.30–2.38 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two Th4+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two Th4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Th4+ atoms. In the sixth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degreesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-31034
- 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; ThF4; F-Th
- OSTI Identifier:
- 1205364
- DOI:
- https://doi.org/10.17188/1205364
Citation Formats
The Materials Project. Materials Data on ThF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205364.
The Materials Project. Materials Data on ThF4 by Materials Project. United States. doi:https://doi.org/10.17188/1205364
The Materials Project. 2020.
"Materials Data on ThF4 by Materials Project". United States. doi:https://doi.org/10.17188/1205364. https://www.osti.gov/servlets/purl/1205364. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1205364,
title = {Materials Data on ThF4 by Materials Project},
author = {The Materials Project},
abstractNote = {ThF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Th–F bond distances ranging from 2.33–2.40 Å. In the second Th4+ site, Th4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Th–F bond distances ranging from 2.30–2.38 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two Th4+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two Th4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Th4+ atoms. In the sixth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Th4+ atoms.},
doi = {10.17188/1205364},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}