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Title: Materials Data on Cs2Sr2(CO3)3 by Materials Project

Abstract

Cs2Sr2(CO3)3 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (3.06 Å) and three longer (3.14 Å) Cs–O bond lengths. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–3.06 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one 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 two equivalent Cs1+, two equivalent Sr2+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, two equivalent Sr2+, and one C4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-866617
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; Cs2Sr2(CO3)3; C-Cs-O-Sr
OSTI Identifier:
1311607
DOI:
https://doi.org/10.17188/1311607

Citation Formats

The Materials Project. Materials Data on Cs2Sr2(CO3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311607.
The Materials Project. Materials Data on Cs2Sr2(CO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1311607
The Materials Project. 2020. "Materials Data on Cs2Sr2(CO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1311607. https://www.osti.gov/servlets/purl/1311607. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1311607,
title = {Materials Data on Cs2Sr2(CO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Sr2(CO3)3 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (3.06 Å) and three longer (3.14 Å) Cs–O bond lengths. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–3.06 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one 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 two equivalent Cs1+, two equivalent Sr2+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, two equivalent Sr2+, and one C4+ atom.},
doi = {10.17188/1311607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}