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Title: Materials Data on CaMg(CO3)2 by Materials Project

Abstract

CaMg(CO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ca–O bond lengths are 2.41 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Mg–O bond lengths are 2.12 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Mg2+, and one C4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6459
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; CaMg(CO3)2; C-Ca-Mg-O
OSTI Identifier:
1280589
DOI:
10.17188/1280589

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CaMg(CO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280589.
Persson, Kristin, & Project, Materials. Materials Data on CaMg(CO3)2 by Materials Project. United States. doi:10.17188/1280589.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CaMg(CO3)2 by Materials Project". United States. doi:10.17188/1280589. https://www.osti.gov/servlets/purl/1280589. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280589,
title = {Materials Data on CaMg(CO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CaMg(CO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ca–O bond lengths are 2.41 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Mg–O bond lengths are 2.12 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Mg2+, and one C4+ atom.},
doi = {10.17188/1280589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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