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Title: Materials Data on Rb5SiAs3 by Materials Project

Abstract

Rb5SiAs3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four As3- atoms. There are a spread of Rb–As bond distances ranging from 3.71–3.99 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.54–3.84 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.65–3.75 Å. In the fourth Rb1+ site, Rb1+ is bonded to four As3- atoms to form distorted corner-sharing RbAs4 tetrahedra. There are a spread of Rb–As bond distances ranging from 3.53–3.59 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.66–3.86 Å. Si4+ is bonded in a trigonal planar geometry to three As3- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Si–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bondedmore » in a 1-coordinate geometry to five Rb1+ and one Si4+ atom. In the second As3- site, As3- is bonded in a 1-coordinate geometry to nine Rb1+ and one Si4+ atom. In the third As3- site, As3- is bonded in a 1-coordinate geometry to nine Rb1+ and one Si4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17490
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; Rb5SiAs3; As-Rb-Si
OSTI Identifier:
1192534
DOI:
https://doi.org/10.17188/1192534

Citation Formats

The Materials Project. Materials Data on Rb5SiAs3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192534.
The Materials Project. Materials Data on Rb5SiAs3 by Materials Project. United States. doi:https://doi.org/10.17188/1192534
The Materials Project. 2020. "Materials Data on Rb5SiAs3 by Materials Project". United States. doi:https://doi.org/10.17188/1192534. https://www.osti.gov/servlets/purl/1192534. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1192534,
title = {Materials Data on Rb5SiAs3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb5SiAs3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four As3- atoms. There are a spread of Rb–As bond distances ranging from 3.71–3.99 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.54–3.84 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.65–3.75 Å. In the fourth Rb1+ site, Rb1+ is bonded to four As3- atoms to form distorted corner-sharing RbAs4 tetrahedra. There are a spread of Rb–As bond distances ranging from 3.53–3.59 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.66–3.86 Å. Si4+ is bonded in a trigonal planar geometry to three As3- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Si–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 1-coordinate geometry to five Rb1+ and one Si4+ atom. In the second As3- site, As3- is bonded in a 1-coordinate geometry to nine Rb1+ and one Si4+ atom. In the third As3- site, As3- is bonded in a 1-coordinate geometry to nine Rb1+ and one Si4+ atom.},
doi = {10.17188/1192534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}