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Title: Materials Data on Bi2(NCl3)3 by Materials Project

Abstract

(N2)3(Bi2Cl9)2 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of six ammonia molecules and two Bi2Cl9 clusters. In each Bi2Cl9 cluster, Bi5+ is bonded to six Cl1- atoms to form face-sharing BiCl6 octahedra. There are three shorter (2.46 Å) and three longer (2.75 Å) Bi–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi5+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Bi5+ atoms.

Publication Date:
Other Number(s):
mp-1194053
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; Bi2(NCl3)3; Bi-Cl-N
OSTI Identifier:
1677867
DOI:
https://doi.org/10.17188/1677867

Citation Formats

The Materials Project. Materials Data on Bi2(NCl3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677867.
The Materials Project. Materials Data on Bi2(NCl3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1677867
The Materials Project. 2020. "Materials Data on Bi2(NCl3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1677867. https://www.osti.gov/servlets/purl/1677867. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1677867,
title = {Materials Data on Bi2(NCl3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(N2)3(Bi2Cl9)2 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of six ammonia molecules and two Bi2Cl9 clusters. In each Bi2Cl9 cluster, Bi5+ is bonded to six Cl1- atoms to form face-sharing BiCl6 octahedra. There are three shorter (2.46 Å) and three longer (2.75 Å) Bi–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi5+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Bi5+ atoms.},
doi = {10.17188/1677867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}