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Title: Materials Data on RbGa3 by Materials Project

Abstract

RbGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to four equivalent Rb and twelve Ga atoms. All Rb–Rb bond lengths are 3.76 Å. There are four shorter (3.65 Å) and eight longer (3.82 Å) Rb–Ga bond lengths. In the second Rb site, Rb is bonded in a 12-coordinate geometry to three Rb and sixteen Ga atoms. The Rb–Rb bond length is 3.71 Å. There are a spread of Rb–Ga bond distances ranging from 3.76–4.15 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to four equivalent Rb and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.57 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to five Rb and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.85 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to five Rb and five Ga atoms. The Ga–Ga bond length is 2.49 Å.

Publication Date:
Other Number(s):
mp-31493
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; RbGa3; Ga-Rb
OSTI Identifier:
1205705
DOI:
10.17188/1205705

Citation Formats

The Materials Project. Materials Data on RbGa3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1205705.
The Materials Project. Materials Data on RbGa3 by Materials Project. United States. doi:10.17188/1205705.
The Materials Project. 2017. "Materials Data on RbGa3 by Materials Project". United States. doi:10.17188/1205705. https://www.osti.gov/servlets/purl/1205705. Pub date:Wed Jun 07 00:00:00 EDT 2017
@article{osti_1205705,
title = {Materials Data on RbGa3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to four equivalent Rb and twelve Ga atoms. All Rb–Rb bond lengths are 3.76 Å. There are four shorter (3.65 Å) and eight longer (3.82 Å) Rb–Ga bond lengths. In the second Rb site, Rb is bonded in a 12-coordinate geometry to three Rb and sixteen Ga atoms. The Rb–Rb bond length is 3.71 Å. There are a spread of Rb–Ga bond distances ranging from 3.76–4.15 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to four equivalent Rb and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.57 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to five Rb and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.85 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to five Rb and five Ga atoms. The Ga–Ga bond length is 2.49 Å.},
doi = {10.17188/1205705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}

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