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Title: Materials Data on Hg(CO2)2 by Materials Project

Abstract

Hg(CO2)2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two mercuric formate molecules. Hg2+ is bonded in a distorted linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.13 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one C3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4249
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; Hg(CO2)2; C-Hg-O
OSTI Identifier:
1207999
DOI:
10.17188/1207999

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Hg(CO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207999.
Persson, Kristin, & Project, Materials. Materials Data on Hg(CO2)2 by Materials Project. United States. doi:10.17188/1207999.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Hg(CO2)2 by Materials Project". United States. doi:10.17188/1207999. https://www.osti.gov/servlets/purl/1207999. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207999,
title = {Materials Data on Hg(CO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Hg(CO2)2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two mercuric formate molecules. Hg2+ is bonded in a distorted linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.13 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one C3+ atom.},
doi = {10.17188/1207999},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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