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Title: Materials Data on Rb2TlCl5O by Materials Project

Abstract

Rb2TlOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 7-coordinate geometry to seven Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.30–3.72 Å. Tl is bonded in a 6-coordinate geometry to one O and five Cl atoms. The Tl–O bond length is 2.31 Å. There are a spread of Tl–Cl bond distances ranging from 2.54–2.86 Å. O is bonded in a distorted single-bond geometry to one Tl and one Cl atom. The O–Cl bond length is 2.39 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded to four equivalent Rb and one Tl atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Tl square pyramids. In the second Cl site, Cl is bonded to four equivalent Rb and one Tl atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Tl square pyramids. In the third Cl site, Cl is bonded in a 4-coordinate geometry to two equivalent Rb, one Tl, and one O atom. In the fourth Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent Rb and one Tl atom.

Publication Date:
Other Number(s):
mp-1197333
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; Rb2TlCl5O; Cl-O-Rb-Tl
OSTI Identifier:
1686645
DOI:
https://doi.org/10.17188/1686645

Citation Formats

The Materials Project. Materials Data on Rb2TlCl5O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686645.
The Materials Project. Materials Data on Rb2TlCl5O by Materials Project. United States. doi:https://doi.org/10.17188/1686645
The Materials Project. 2020. "Materials Data on Rb2TlCl5O by Materials Project". United States. doi:https://doi.org/10.17188/1686645. https://www.osti.gov/servlets/purl/1686645. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686645,
title = {Materials Data on Rb2TlCl5O by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2TlOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 7-coordinate geometry to seven Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.30–3.72 Å. Tl is bonded in a 6-coordinate geometry to one O and five Cl atoms. The Tl–O bond length is 2.31 Å. There are a spread of Tl–Cl bond distances ranging from 2.54–2.86 Å. O is bonded in a distorted single-bond geometry to one Tl and one Cl atom. The O–Cl bond length is 2.39 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded to four equivalent Rb and one Tl atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Tl square pyramids. In the second Cl site, Cl is bonded to four equivalent Rb and one Tl atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Tl square pyramids. In the third Cl site, Cl is bonded in a 4-coordinate geometry to two equivalent Rb, one Tl, and one O atom. In the fourth Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent Rb and one Tl atom.},
doi = {10.17188/1686645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}