skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs2CO3 by Materials Project

Abstract

Cs2CO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.39 Å. In the second Cs1+ site, Cs1+ is bonded to six O2- atoms to form distorted face-sharing CsO6 octahedra. There are a spread of Cs–O bond distances ranging from 2.99–3.43 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one C4+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1277857
Report Number(s):
mp-616458
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Cs2CO3; C-Cs-O

Citation Formats

The Materials Project. Materials Data on Cs2CO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277857.
The Materials Project. Materials Data on Cs2CO3 by Materials Project. United States. https://doi.org/10.17188/1277857
The Materials Project. 2020. "Materials Data on Cs2CO3 by Materials Project". United States. https://doi.org/10.17188/1277857. https://www.osti.gov/servlets/purl/1277857.
@article{osti_1277857,
title = {Materials Data on Cs2CO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2CO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.39 Å. In the second Cs1+ site, Cs1+ is bonded to six O2- atoms to form distorted face-sharing CsO6 octahedra. There are a spread of Cs–O bond distances ranging from 2.99–3.43 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one C4+ atom.},
doi = {10.17188/1277857},
url = {https://www.osti.gov/biblio/1277857}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}