Materials Data on Mo(Se2N)2 by Materials Project

doi:10.17188/1680210

Title: Materials Data on Mo(Se2N)2 by Materials Project

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Abstract

MoSe4N2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four MoSe4 clusters. In each MoSe4 cluster, Mo6+ is bonded in a tetrahedral geometry to four Se2- atoms. All Mo–Se bond lengths are 2.31 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom. In the second Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom. In the third Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1210732

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; Mo(Se2N)2; Mo-N-Se

OSTI Identifier:: 1680210

DOI:: https://doi.org/10.17188/1680210

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                    The Materials Project. Materials Data on Mo(Se2N)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1680210.

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                    The Materials Project. Materials Data on Mo(Se2N)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680210

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                    The Materials Project. 2019.  
"Materials Data on Mo(Se2N)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680210.  https://www.osti.gov/servlets/purl/1680210. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1680210,

  title        = {Materials Data on Mo(Se2N)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoSe4N2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four MoSe4 clusters. In each MoSe4 cluster, Mo6+ is bonded in a tetrahedral geometry to four Se2- atoms. All Mo–Se bond lengths are 2.31 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom. In the second Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom. In the third Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom.},

  doi          = {10.17188/1680210},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1680210

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