U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeTlF5 by Materials Project
Abstract
CeTlF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ce–F bond distances ranging from 2.16–2.77 Å. In the second Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ce–F bond distances ranging from 2.18–2.46 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.80–3.42 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.77–3.37 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Ce4+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Ce4+ and one Tl1+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ce4+ and four Tl1+ atoms. In the fourthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213886
- 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; CeTlF5; Ce-F-Tl
- OSTI Identifier:
- 1684487
- DOI:
- https://doi.org/10.17188/1684487
Citation Formats
The Materials Project. Materials Data on CeTlF5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1684487.
The Materials Project. Materials Data on CeTlF5 by Materials Project. United States. doi:https://doi.org/10.17188/1684487
The Materials Project. 2019.
"Materials Data on CeTlF5 by Materials Project". United States. doi:https://doi.org/10.17188/1684487. https://www.osti.gov/servlets/purl/1684487. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684487,
title = {Materials Data on CeTlF5 by Materials Project},
author = {The Materials Project},
abstractNote = {CeTlF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ce–F bond distances ranging from 2.16–2.77 Å. In the second Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ce–F bond distances ranging from 2.18–2.46 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.80–3.42 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.77–3.37 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Ce4+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Ce4+ and one Tl1+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ce4+ and four Tl1+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Ce4+ and three Tl1+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ce4+ and three Tl1+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ce4+ and one Tl1+ atom. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to two Ce4+ and one Tl1+ atom. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ce4+ and one Tl1+ atom. In the ninth F1- site, F1- is bonded in a 4-coordinate geometry to one Ce4+ and three Tl1+ atoms. In the tenth F1- site, F1- is bonded in a 4-coordinate geometry to three Ce4+ and one Tl1+ atom.},
doi = {10.17188/1684487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}