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Title: Materials Data on CsH3O2 by Materials Project

Abstract

CsH3O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cs1+ is bonded to twelve H1+ atoms to form a mixture of distorted edge, face, and corner-sharing CsH12 cuboctahedra. There are eight shorter (3.04 Å) and four longer (3.10 Å) Cs–H bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to four equivalent Cs1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. In the second H1+ site, H1+ is bonded in a linear geometry to four equivalent Cs1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. O2- is bonded in a trigonal planar geometry to three H1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-30089
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; CsH3O2; Cs-H-O
OSTI Identifier:
1204517
DOI:
https://doi.org/10.17188/1204517

Citation Formats

The Materials Project. Materials Data on CsH3O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204517.
The Materials Project. Materials Data on CsH3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1204517
The Materials Project. 2020. "Materials Data on CsH3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1204517. https://www.osti.gov/servlets/purl/1204517. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204517,
title = {Materials Data on CsH3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsH3O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cs1+ is bonded to twelve H1+ atoms to form a mixture of distorted edge, face, and corner-sharing CsH12 cuboctahedra. There are eight shorter (3.04 Å) and four longer (3.10 Å) Cs–H bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to four equivalent Cs1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. In the second H1+ site, H1+ is bonded in a linear geometry to four equivalent Cs1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. O2- is bonded in a trigonal planar geometry to three H1+ atoms.},
doi = {10.17188/1204517},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}