Materials Data on Mg2CuWO6 by Materials Project

doi:10.17188/1321214

Title: Materials Data on Mg2CuWO6 by Materials Project

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Abstract

Mg2WCuO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.19 Å. W6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.92–2.01 Å. Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (2.10 Å) Cu–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+, one W6+, and one Cu2+ atom to form distorted corner-sharing OMg2CuW trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+, one W6+, and one Cu2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one W6+ atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mvc-5013

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; Mg2CuWO6; Cu-Mg-O-W

OSTI Identifier:: 1321214

DOI:: https://doi.org/10.17188/1321214

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                    The Materials Project. Materials Data on Mg2CuWO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1321214.

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                    The Materials Project. Materials Data on Mg2CuWO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1321214

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                    The Materials Project. 2020.  
"Materials Data on Mg2CuWO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1321214.  https://www.osti.gov/servlets/purl/1321214. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1321214,

  title        = {Materials Data on Mg2CuWO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2WCuO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.19 Å. W6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.92–2.01 Å. Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (2.10 Å) Cu–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+, one W6+, and one Cu2+ atom to form distorted corner-sharing OMg2CuW trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+, one W6+, and one Cu2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one W6+ atom.},

  doi          = {10.17188/1321214},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1321214

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