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Title: Materials Data on Mg2Cu2CO11 by Materials Project

Abstract

Mg2Cu2CO11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.91–2.42 Å. Cu is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.66 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Mg, one Cu, and one O atom. The O–O bond length is 1.52 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Mg, one Cu, and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Cu and one C atom. In the fifth O site, O is bonded in a 2-coordinatemore » geometry to two equivalent Mg, one Cu, and one O atom. The O–O bond length is 1.48 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Cu and one O atom.« less

Publication Date:
Other Number(s):
mp-1180744
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; Mg2Cu2CO11; C-Cu-Mg-O
OSTI Identifier:
1665695
DOI:
https://doi.org/10.17188/1665695

Citation Formats

The Materials Project. Materials Data on Mg2Cu2CO11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665695.
The Materials Project. Materials Data on Mg2Cu2CO11 by Materials Project. United States. doi:https://doi.org/10.17188/1665695
The Materials Project. 2020. "Materials Data on Mg2Cu2CO11 by Materials Project". United States. doi:https://doi.org/10.17188/1665695. https://www.osti.gov/servlets/purl/1665695. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1665695,
title = {Materials Data on Mg2Cu2CO11 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Cu2CO11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.91–2.42 Å. Cu is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.66 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Mg, one Cu, and one O atom. The O–O bond length is 1.52 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Mg, one Cu, and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Cu and one C atom. In the fifth O site, O is bonded in a 2-coordinate geometry to two equivalent Mg, one Cu, and one O atom. The O–O bond length is 1.48 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Cu and one O atom.},
doi = {10.17188/1665695},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}