Materials Data on Rb3TlF6 by Materials Project
Abstract
Rb3TlF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.79 Å) and four longer (3.50 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.63 Å. Tl3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.17 Å) and two longer (2.28 Å) Tl–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Tl3+ atom. In the second F1- site, F1- is bonded in a linear geometry to five Rb1+ and one Tl3+ atom.
- Authors:
- Contributors:
-
Researcher:
- Publication Date:
- Other Number(s):
- mp-7615
- 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; Rb3TlF6; F-Rb-Tl
- OSTI Identifier:
- 1292026
- DOI:
- 10.17188/1292026
Citation Formats
Persson, Kristin, and Project, Materials. Materials Data on Rb3TlF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292026.
Persson, Kristin, & Project, Materials. Materials Data on Rb3TlF6 by Materials Project. United States. doi:10.17188/1292026.
Persson, Kristin, and Project, Materials. 2020.
"Materials Data on Rb3TlF6 by Materials Project". United States. doi:10.17188/1292026. https://www.osti.gov/servlets/purl/1292026. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1292026,
title = {Materials Data on Rb3TlF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb3TlF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.79 Å) and four longer (3.50 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.63 Å. Tl3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.17 Å) and two longer (2.28 Å) Tl–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Tl3+ atom. In the second F1- site, F1- is bonded in a linear geometry to five Rb1+ and one Tl3+ atom.},
doi = {10.17188/1292026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}