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Title: Materials Data on CsGa7 by Materials Project

Abstract

CsGa7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to fifteen Ga atoms. There are a spread of Cs–Ga bond distances ranging from 3.85–3.94 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Cs and four Ga atoms. There are one shorter (2.62 Å) and three longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Cs and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.83 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Cs and six Ga atoms. Both Ga–Ga bond lengths are 2.83 Å.

Authors:
Contributors:
Researcher:
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:
1204964
Report Number(s):
mp-30574
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; CsGa7; Cs-Ga

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CsGa7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204964.
Persson, Kristin, & Project, Materials. Materials Data on CsGa7 by Materials Project. United States. https://doi.org/10.17188/1204964
Persson, Kristin, and Project, Materials. Wed . "Materials Data on CsGa7 by Materials Project". United States. https://doi.org/10.17188/1204964. https://www.osti.gov/servlets/purl/1204964.
@article{osti_1204964,
title = {Materials Data on CsGa7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CsGa7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to fifteen Ga atoms. There are a spread of Cs–Ga bond distances ranging from 3.85–3.94 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Cs and four Ga atoms. There are one shorter (2.62 Å) and three longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Cs and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.83 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Cs and six Ga atoms. Both Ga–Ga bond lengths are 2.83 Å.},
doi = {10.17188/1204964},
url = {https://www.osti.gov/biblio/1204964}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}