Materials Data on MgAs by Materials Project

doi:10.17188/1700313

Title: Materials Data on MgAs by Materials Project

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Abstract

MgAs crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Mg–As bond distances ranging from 2.72–2.91 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Mg–As bond distances ranging from 2.71–2.91 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded to six Mg2+ atoms to form distorted corner-sharing AsMg6 pentagonal pyramids. In the second As2- site, As2- is bonded in a 7-coordinate geometry to six Mg2+ and one As2- atom. The As–As bond length is 2.54 Å.

Publication Date:: 2020-05-02

Other Number(s):: mp-1185845

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; As-Mg; MgAs; crystal structure

OSTI Identifier:: 1700313

DOI:: https://doi.org/10.17188/1700313

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                    Materials Data on MgAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1700313.

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                    Materials Data on MgAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1700313

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                    2020.  
"Materials Data on MgAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1700313.  https://www.osti.gov/servlets/purl/1700313. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1700313,

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

  
  abstractNote = {MgAs crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Mg–As bond distances ranging from 2.72–2.91 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Mg–As bond distances ranging from 2.71–2.91 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded to six Mg2+ atoms to form distorted corner-sharing AsMg6 pentagonal pyramids. In the second As2- site, As2- is bonded in a 7-coordinate geometry to six Mg2+ and one As2- atom. The As–As bond length is 2.54 Å.},

  doi          = {10.17188/1700313},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1700313

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