Materials Data on MgS2 by Materials Project

doi:10.17188/1716930

Title: Materials Data on MgS2 by Materials Project

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Abstract

MgS2 is Marcasite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to six S1- atoms to form edge-sharing MgS6 octahedra. There are a spread of Mg–S bond distances ranging from 2.58–2.65 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one S1- atom. The S–S bond length is 2.10 Å. In the second S1- site, S1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one S1- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1185953

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; MgS2; Mg-S

OSTI Identifier:: 1716930

DOI:: https://doi.org/10.17188/1716930

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                    The Materials Project. Materials Data on MgS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716930.

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                    The Materials Project. Materials Data on MgS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716930

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                    The Materials Project. 2020.  
"Materials Data on MgS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716930.  https://www.osti.gov/servlets/purl/1716930. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1716930,

  title        = {Materials Data on MgS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgS2 is Marcasite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to six S1- atoms to form edge-sharing MgS6 octahedra. There are a spread of Mg–S bond distances ranging from 2.58–2.65 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one S1- atom. The S–S bond length is 2.10 Å. In the second S1- site, S1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one S1- atom.},

  doi          = {10.17188/1716930},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1716930

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