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

Title: Materials Data on CsTlBr4 by Materials Project

Abstract

CsTlBr4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.91–4.24 Å. Tl3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Tl–Br bond distances ranging from 2.61–2.65 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Tl3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Tl3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Tl3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Tl3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-573702
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; CsTlBr4; Br-Cs-Tl
OSTI Identifier:
1276519
DOI:
10.17188/1276519

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CsTlBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276519.
Persson, Kristin, & Project, Materials. Materials Data on CsTlBr4 by Materials Project. United States. doi:10.17188/1276519.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CsTlBr4 by Materials Project". United States. doi:10.17188/1276519. https://www.osti.gov/servlets/purl/1276519. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1276519,
title = {Materials Data on CsTlBr4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CsTlBr4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.91–4.24 Å. Tl3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Tl–Br bond distances ranging from 2.61–2.65 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Tl3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Tl3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Tl3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Tl3+ atom.},
doi = {10.17188/1276519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: