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Title: Materials Data on Rb2GaSb2 by Materials Project

Abstract

Rb2GaSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Rb–Sb bond distances ranging from 3.87–4.20 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Rb–Sb bond distances ranging from 3.67–4.10 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb+2.50- atoms. There are a spread of Ga–Sb bond distances ranging from 2.63–2.68 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb+2.50- atoms. There are a spread of Ga–Sb bond distances ranging from 2.61–2.63 Å. There are four inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 2-coordinate geometry to six Rb1+ and two Ga3+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded in a 2-coordinate geometry to six Rb1+ and two Ga3+ atoms. In the third Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to six Rb1+, one Ga3+, andmore » one Sb+2.50- atom. The Sb–Sb bond length is 2.88 Å. In the fourth Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to six Rb1+, one Ga3+, and one Sb+2.50- atom.« less

Publication Date:
Other Number(s):
mp-29371
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; Rb2GaSb2; Ga-Rb-Sb
OSTI Identifier:
1203718
DOI:
https://doi.org/10.17188/1203718

Citation Formats

The Materials Project. Materials Data on Rb2GaSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203718.
The Materials Project. Materials Data on Rb2GaSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1203718
The Materials Project. 2020. "Materials Data on Rb2GaSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1203718. https://www.osti.gov/servlets/purl/1203718. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1203718,
title = {Materials Data on Rb2GaSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2GaSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Rb–Sb bond distances ranging from 3.87–4.20 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Rb–Sb bond distances ranging from 3.67–4.10 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb+2.50- atoms. There are a spread of Ga–Sb bond distances ranging from 2.63–2.68 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb+2.50- atoms. There are a spread of Ga–Sb bond distances ranging from 2.61–2.63 Å. There are four inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 2-coordinate geometry to six Rb1+ and two Ga3+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded in a 2-coordinate geometry to six Rb1+ and two Ga3+ atoms. In the third Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to six Rb1+, one Ga3+, and one Sb+2.50- atom. The Sb–Sb bond length is 2.88 Å. In the fourth Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to six Rb1+, one Ga3+, and one Sb+2.50- atom.},
doi = {10.17188/1203718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}