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Title: Materials Data on Mg2C3ClO15 by Materials Project

Abstract

(Mg2(CO5)3)2Cl2 is Halite, Rock Salt structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of six hydrochloric acid molecules and six Mg2(CO5)3 clusters. In each Mg2(CO5)3 cluster, Mg is bonded in an octahedral geometry to six O atoms. There are three shorter (2.03 Å) and three longer (2.16 Å) Mg–O bond lengths. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one C atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the third O site, O is bonded in a single-bond geometry to one Mg atom.

Publication Date:
Other Number(s):
mp-1196274
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; Mg2C3ClO15; C-Cl-Mg-O
OSTI Identifier:
1722488
DOI:
https://doi.org/10.17188/1722488

Citation Formats

The Materials Project. Materials Data on Mg2C3ClO15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722488.
The Materials Project. Materials Data on Mg2C3ClO15 by Materials Project. United States. doi:https://doi.org/10.17188/1722488
The Materials Project. 2020. "Materials Data on Mg2C3ClO15 by Materials Project". United States. doi:https://doi.org/10.17188/1722488. https://www.osti.gov/servlets/purl/1722488. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722488,
title = {Materials Data on Mg2C3ClO15 by Materials Project},
author = {The Materials Project},
abstractNote = {(Mg2(CO5)3)2Cl2 is Halite, Rock Salt structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of six hydrochloric acid molecules and six Mg2(CO5)3 clusters. In each Mg2(CO5)3 cluster, Mg is bonded in an octahedral geometry to six O atoms. There are three shorter (2.03 Å) and three longer (2.16 Å) Mg–O bond lengths. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one C atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the third O site, O is bonded in a single-bond geometry to one Mg atom.},
doi = {10.17188/1722488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}