Materials Data on Mg2Cu2CO11 by Materials Project

doi:10.17188/1665695

Title: Materials Data on Mg2Cu2CO11 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1180744

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; Mg2Cu2CO11; C-Cu-Mg-O

OSTI Identifier:: 1665695

DOI:: https://doi.org/10.17188/1665695

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                    The Materials Project. Materials Data on Mg2Cu2CO11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1665695.

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                    The Materials Project. Materials Data on Mg2Cu2CO11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1665695

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1665695

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