Materials Data on Np2Se3 by Materials Project

doi:10.17188/1284038

Title: Materials Data on Np2Se3 by Materials Project

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Abstract

Np2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Np3+ sites. In the first Np3+ site, Np3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NpSe8 hexagonal bipyramids. There are a spread of Np–Se bond distances ranging from 2.90–3.12 Å. In the second Np3+ site, Np3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NpSe8 hexagonal bipyramids. There are a spread of Np–Se bond distances ranging from 2.91–3.07 Å. In the third Np3+ site, Np3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NpSe8 hexagonal bipyramids. There are a spread of Np–Se bond distances ranging from 2.93–3.12 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Np3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeNp5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Np3+ atoms. In the third Se2- site, Se2- is bonded to five Np3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeNp5 squaremore » pyramids.« less

Authors:: The Materials Project

Publication Date:: 2013-10-21

Other Number(s):: mp-684922

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; Np2Se3; Np-Se

OSTI Identifier:: 1284038

DOI:: https://doi.org/10.17188/1284038

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                    The Materials Project. Materials Data on Np2Se3 by Materials Project.  United States: N. p., 2013. 
        Web.  doi:10.17188/1284038.

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                    The Materials Project. Materials Data on Np2Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284038

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                    The Materials Project. 2013.  
"Materials Data on Np2Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284038.  https://www.osti.gov/servlets/purl/1284038. Pub date:Mon Oct 21 00:00:00 EDT 2013

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@article{osti_1284038,

  title        = {Materials Data on Np2Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Np2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Np3+ sites. In the first Np3+ site, Np3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NpSe8 hexagonal bipyramids. There are a spread of Np–Se bond distances ranging from 2.90–3.12 Å. In the second Np3+ site, Np3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NpSe8 hexagonal bipyramids. There are a spread of Np–Se bond distances ranging from 2.91–3.07 Å. In the third Np3+ site, Np3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NpSe8 hexagonal bipyramids. There are a spread of Np–Se bond distances ranging from 2.93–3.12 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Np3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeNp5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Np3+ atoms. In the third Se2- site, Se2- is bonded to five Np3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeNp5 square pyramids.},

  doi          = {10.17188/1284038},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2013},

  month        = {10}

}

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DOI: https://doi.org/10.17188/1284038

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