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Title: Materials Data on RbHgC3(NO)3 by Materials Project

Abstract

RbHgC3(NO)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to three N3- and five O2- atoms. There are two shorter (3.18 Å) and one longer (3.19 Å) Rb–N bond lengths. There are a spread of Rb–O bond distances ranging from 2.95–3.07 Å. Hg2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Hg–N bond distances ranging from 2.14–3.03 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.20 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.21 Å. In the third C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.20 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degreesmore » geometry to three equivalent Hg2+ and one C4+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to one Rb1+, two equivalent Hg2+, and one C4+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Hg2+, and one C4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one C4+ atom.« less

Publication Date:
Other Number(s):
mp-1209656
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; RbHgC3(NO)3; C-Hg-N-O-Rb
OSTI Identifier:
1748639
DOI:
https://doi.org/10.17188/1748639

Citation Formats

The Materials Project. Materials Data on RbHgC3(NO)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748639.
The Materials Project. Materials Data on RbHgC3(NO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1748639
The Materials Project. 2020. "Materials Data on RbHgC3(NO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1748639. https://www.osti.gov/servlets/purl/1748639. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1748639,
title = {Materials Data on RbHgC3(NO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbHgC3(NO)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to three N3- and five O2- atoms. There are two shorter (3.18 Å) and one longer (3.19 Å) Rb–N bond lengths. There are a spread of Rb–O bond distances ranging from 2.95–3.07 Å. Hg2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Hg–N bond distances ranging from 2.14–3.03 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.20 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.21 Å. In the third C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.20 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to three equivalent Hg2+ and one C4+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to one Rb1+, two equivalent Hg2+, and one C4+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Hg2+, and one C4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one C4+ atom.},
doi = {10.17188/1748639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}