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Title: Materials Data on Cs2In3 by Materials Project

Abstract

Cs2In3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to five Cs and nine In atoms. There are one shorter (3.79 Å) and four longer (4.25 Å) Cs–Cs bond lengths. There are a spread of Cs–In bond distances ranging from 4.20–4.33 Å. In the second Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.39 Å) Cs–In bond lengths. In the third Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.57 Å) Cs–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Cs and five In atoms. There are a spread of In–In bond distances ranging from 2.92–3.24 Å. In the second In site, In is bonded in a 9-coordinate geometry to five Cs and four equivalent In atoms. In the third In site, In is bonded in a 9-coordinate geometrymore » to five Cs and four equivalent In atoms. The In–Cs bond length is 4.20 Å. There are two shorter (3.10 Å) and two longer (3.24 Å) In–In bond lengths.« less

Publication Date:
Other Number(s):
mp-567752
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; Cs2In3; Cs-In
OSTI Identifier:
1274028
DOI:
10.17188/1274028

Citation Formats

The Materials Project. Materials Data on Cs2In3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274028.
The Materials Project. Materials Data on Cs2In3 by Materials Project. United States. doi:10.17188/1274028.
The Materials Project. 2020. "Materials Data on Cs2In3 by Materials Project". United States. doi:10.17188/1274028. https://www.osti.gov/servlets/purl/1274028. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1274028,
title = {Materials Data on Cs2In3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2In3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to five Cs and nine In atoms. There are one shorter (3.79 Å) and four longer (4.25 Å) Cs–Cs bond lengths. There are a spread of Cs–In bond distances ranging from 4.20–4.33 Å. In the second Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.39 Å) Cs–In bond lengths. In the third Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent Cs and eight In atoms. There are four shorter (4.01 Å) and four longer (4.57 Å) Cs–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Cs and five In atoms. There are a spread of In–In bond distances ranging from 2.92–3.24 Å. In the second In site, In is bonded in a 9-coordinate geometry to five Cs and four equivalent In atoms. In the third In site, In is bonded in a 9-coordinate geometry to five Cs and four equivalent In atoms. The In–Cs bond length is 4.20 Å. There are two shorter (3.10 Å) and two longer (3.24 Å) In–In bond lengths.},
doi = {10.17188/1274028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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