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Title: Materials Data on TlHCO2 by Materials Project

Abstract

TlCHO2 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Tl1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.66 Å) and two longer (2.85 Å) Tl–O bond lengths. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557687
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; TlHCO2; C-H-O-Tl
OSTI Identifier:
1268400
DOI:
10.17188/1268400

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TlHCO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268400.
Persson, Kristin, & Project, Materials. Materials Data on TlHCO2 by Materials Project. United States. doi:10.17188/1268400.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TlHCO2 by Materials Project". United States. doi:10.17188/1268400. https://www.osti.gov/servlets/purl/1268400. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1268400,
title = {Materials Data on TlHCO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TlCHO2 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Tl1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.66 Å) and two longer (2.85 Å) Tl–O bond lengths. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.},
doi = {10.17188/1268400},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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