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Title: Materials Data on Mg(C2O3)2 by Materials Project

Abstract

Mg(CO3)2(C)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four ethyne molecules and two Mg(CO3)2 sheets oriented in the (1, 0, 0) direction. In each Mg(CO3)2 sheet, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.16 Å. C+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one C+2.50+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C+2.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1191802
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; Mg(C2O3)2; C-Mg-O
OSTI Identifier:
1666607
DOI:
https://doi.org/10.17188/1666607

Citation Formats

The Materials Project. Materials Data on Mg(C2O3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666607.
The Materials Project. Materials Data on Mg(C2O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1666607
The Materials Project. 2020. "Materials Data on Mg(C2O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1666607. https://www.osti.gov/servlets/purl/1666607. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1666607,
title = {Materials Data on Mg(C2O3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(CO3)2(C)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four ethyne molecules and two Mg(CO3)2 sheets oriented in the (1, 0, 0) direction. In each Mg(CO3)2 sheet, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.16 Å. C+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one C+2.50+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C+2.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom.},
doi = {10.17188/1666607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}