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Title: Materials Data on RbBiAs6H24C8(S6N)2 by Materials Project

Abstract

RbBi(AsS2)6(N(CH3)4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of six tetramethylammonium molecules and one RbBi(AsS2)6 framework. In the RbBi(AsS2)6 framework, Rb1+ is bonded in a hexagonal planar geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.50 Å. Bi3+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Bi–S bond lengths are 2.87 Å. As3- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.22 Å) and two longer (2.35 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent As3- atoms. In the second S2- site, S2- is bonded in a water-like geometry to one Bi3+ and one As3- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556621
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; RbBiAs6H24C8(S6N)2; As-Bi-C-H-N-Rb-S
OSTI Identifier:
1268459
DOI:
10.17188/1268459

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbBiAs6H24C8(S6N)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268459.
Persson, Kristin, & Project, Materials. Materials Data on RbBiAs6H24C8(S6N)2 by Materials Project. United States. doi:10.17188/1268459.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbBiAs6H24C8(S6N)2 by Materials Project". United States. doi:10.17188/1268459. https://www.osti.gov/servlets/purl/1268459. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1268459,
title = {Materials Data on RbBiAs6H24C8(S6N)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbBi(AsS2)6(N(CH3)4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of six tetramethylammonium molecules and one RbBi(AsS2)6 framework. In the RbBi(AsS2)6 framework, Rb1+ is bonded in a hexagonal planar geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.50 Å. Bi3+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Bi–S bond lengths are 2.87 Å. As3- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.22 Å) and two longer (2.35 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent As3- atoms. In the second S2- site, S2- is bonded in a water-like geometry to one Bi3+ and one As3- atom.},
doi = {10.17188/1268459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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