skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on RbTlF4 by Materials Project

Abstract

RbTlF4 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.88–3.21 Å. Tl3+ is bonded to six F1- atoms to form corner-sharing TlF6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of Tl–F bond distances ranging from 2.10–2.29 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Tl3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Tl3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Tl3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Tl3+ atoms.

Publication Date:
Other Number(s):
mp-27210
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; RbTlF4; F-Rb-Tl
OSTI Identifier:
1201415
DOI:
https://doi.org/10.17188/1201415

Citation Formats

The Materials Project. Materials Data on RbTlF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201415.
The Materials Project. Materials Data on RbTlF4 by Materials Project. United States. doi:https://doi.org/10.17188/1201415
The Materials Project. 2020. "Materials Data on RbTlF4 by Materials Project". United States. doi:https://doi.org/10.17188/1201415. https://www.osti.gov/servlets/purl/1201415. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1201415,
title = {Materials Data on RbTlF4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbTlF4 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.88–3.21 Å. Tl3+ is bonded to six F1- atoms to form corner-sharing TlF6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of Tl–F bond distances ranging from 2.10–2.29 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Tl3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Tl3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Tl3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Tl3+ atoms.},
doi = {10.17188/1201415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}