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Title: Materials Data on Tl2CO3 by Materials Project

Abstract

Tl2CO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Tl–O bond distances ranging from 2.70–2.87 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.68–3.54 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.31 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Tl1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Tl1+ and one C4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-543045
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; Tl2CO3; C-O-Tl
OSTI Identifier:
1266886
DOI:
https://doi.org/10.17188/1266886

Citation Formats

The Materials Project. Materials Data on Tl2CO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266886.
The Materials Project. Materials Data on Tl2CO3 by Materials Project. United States. doi:https://doi.org/10.17188/1266886
The Materials Project. 2020. "Materials Data on Tl2CO3 by Materials Project". United States. doi:https://doi.org/10.17188/1266886. https://www.osti.gov/servlets/purl/1266886. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1266886,
title = {Materials Data on Tl2CO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2CO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Tl–O bond distances ranging from 2.70–2.87 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.68–3.54 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.31 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Tl1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Tl1+ and one C4+ atom.},
doi = {10.17188/1266886},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}