Materials Data on Np(Mo3Se4)2 by Materials Project

doi:10.17188/1718536

Title: Materials Data on Np(Mo3Se4)2 by Materials Project

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Abstract

Np1.0Mo6Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Np3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.85 Å) and six longer (3.09 Å) Np–Se bond lengths. Mo+2.17+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Np3+ and three equivalent Mo+2.17+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Np3+ and four equivalent Mo+2.17+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1104266

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; Np(Mo3Se4)2; Mo-Np-Se

OSTI Identifier:: 1718536

DOI:: https://doi.org/10.17188/1718536

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                    The Materials Project. Materials Data on Np(Mo3Se4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718536.

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                    The Materials Project. Materials Data on Np(Mo3Se4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718536

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                    The Materials Project. 2020.  
"Materials Data on Np(Mo3Se4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718536.  https://www.osti.gov/servlets/purl/1718536. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1718536,

  title        = {Materials Data on Np(Mo3Se4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Np1.0Mo6Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Np3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.85 Å) and six longer (3.09 Å) Np–Se bond lengths. Mo+2.17+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.76 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Np3+ and three equivalent Mo+2.17+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Np3+ and four equivalent Mo+2.17+ atoms.},

  doi          = {10.17188/1718536},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1718536

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