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Title: Materials Data on HgH16(Br3N2)2 by Materials Project

Abstract

(NH4)4HgBr6 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonium molecules and two HgBr6 clusters. In each HgBr6 cluster, Hg2+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.58–3.24 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to one Hg2+ atom.

Publication Date:
Other Number(s):
mp-604295
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; HgH16(Br3N2)2; Br-H-Hg-N
OSTI Identifier:
1272978
DOI:
https://doi.org/10.17188/1272978

Citation Formats

The Materials Project. Materials Data on HgH16(Br3N2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272978.
The Materials Project. Materials Data on HgH16(Br3N2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1272978
The Materials Project. 2020. "Materials Data on HgH16(Br3N2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1272978. https://www.osti.gov/servlets/purl/1272978. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1272978,
title = {Materials Data on HgH16(Br3N2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(NH4)4HgBr6 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonium molecules and two HgBr6 clusters. In each HgBr6 cluster, Hg2+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.58–3.24 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to one Hg2+ atom.},
doi = {10.17188/1272978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}