Materials Data on Pu2Se3 by Materials Project

doi:10.17188/1655609

Title: Materials Data on Pu2Se3 by Materials Project

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Abstract

Pu2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PuSe7 pentagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.88–2.96 Å. In the second Pu3+ site, Pu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pu–Se bond distances ranging from 2.96–3.45 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the second Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pu3+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1205450

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; Pu2Se3; Pu-Se

OSTI Identifier:: 1655609

DOI:: https://doi.org/10.17188/1655609

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                    The Materials Project. Materials Data on Pu2Se3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1655609.

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                    The Materials Project. Materials Data on Pu2Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655609

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                    The Materials Project. 2019.  
"Materials Data on Pu2Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655609.  https://www.osti.gov/servlets/purl/1655609. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1655609,

  title        = {Materials Data on Pu2Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pu2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PuSe7 pentagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.88–2.96 Å. In the second Pu3+ site, Pu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pu–Se bond distances ranging from 2.96–3.45 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the second Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pu3+ atoms.},

  doi          = {10.17188/1655609},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1655609

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