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Title: Materials Data on BiH24C6(I2N)3 by Materials Project

Abstract

((CH3)2NH2)3BiI6 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of thirty-six dimethylazanium molecules and twelve BiI6 clusters. In each BiI6 cluster, Bi3+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Bi–I bond distances ranging from 3.11–3.16 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-601924
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; BiH24C6(I2N)3; Bi-C-H-I-N
OSTI Identifier:
1272959
DOI:
https://doi.org/10.17188/1272959

Citation Formats

The Materials Project. Materials Data on BiH24C6(I2N)3 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1272959.
The Materials Project. Materials Data on BiH24C6(I2N)3 by Materials Project. United States. doi:https://doi.org/10.17188/1272959
The Materials Project. 2014. "Materials Data on BiH24C6(I2N)3 by Materials Project". United States. doi:https://doi.org/10.17188/1272959. https://www.osti.gov/servlets/purl/1272959. Pub date:Wed Feb 19 00:00:00 EST 2014
@article{osti_1272959,
title = {Materials Data on BiH24C6(I2N)3 by Materials Project},
author = {The Materials Project},
abstractNote = {((CH3)2NH2)3BiI6 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of thirty-six dimethylazanium molecules and twelve BiI6 clusters. In each BiI6 cluster, Bi3+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Bi–I bond distances ranging from 3.11–3.16 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom.},
doi = {10.17188/1272959},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}