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Title: Materials Data on MgCO3 by Materials Project

Abstract

MgCO3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.68 Å. C4+ is bonded to four O2- atoms to form corner-sharing CO4 tetrahedra. There is two shorter (1.35 Å) and two longer (1.46 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mg2+ and one C4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Mg2+ and two equivalent C4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-546079
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; MgCO3; C-Mg-O
OSTI Identifier:
1267137
DOI:
10.17188/1267137

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MgCO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267137.
Persson, Kristin, & Project, Materials. Materials Data on MgCO3 by Materials Project. United States. doi:10.17188/1267137.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MgCO3 by Materials Project". United States. doi:10.17188/1267137. https://www.osti.gov/servlets/purl/1267137. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1267137,
title = {Materials Data on MgCO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MgCO3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.68 Å. C4+ is bonded to four O2- atoms to form corner-sharing CO4 tetrahedra. There is two shorter (1.35 Å) and two longer (1.46 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mg2+ and one C4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Mg2+ and two equivalent C4+ atoms.},
doi = {10.17188/1267137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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