Materials Data on Pu2S3 by Materials Project

doi:10.17188/1206527

Title: Materials Data on Pu2S3 by Materials Project

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Abstract

Pu2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.77–2.96 Å. In the second Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.80–2.98 Å. In the third Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.76–3.04 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 square pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Pu3+ atoms. In the third S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 squaremore » pyramids.« less

Authors:: The Materials Project

Publication Date:: Tue Oct 04 00:00:00 EDT 2016

Other Number(s):: mp-33239

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; Pu2S3; Pu-S

OSTI Identifier:: 1206527

DOI:: https://doi.org/10.17188/1206527

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                    The Materials Project. Materials Data on Pu2S3 by Materials Project.  United States: N. p., 2016. 
        Web.  doi:10.17188/1206527.

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                    The Materials Project. Materials Data on Pu2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206527

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                    The Materials Project. 2016.  
"Materials Data on Pu2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206527.  https://www.osti.gov/servlets/purl/1206527. Pub date:Tue Oct 04 00:00:00 EDT 2016

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@article{osti_1206527,

  title        = {Materials Data on Pu2S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pu2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.77–2.96 Å. In the second Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.80–2.98 Å. In the third Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.76–3.04 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 square pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Pu3+ atoms. In the third S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 square pyramids.},

  doi          = {10.17188/1206527},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Oct 04 00:00:00 EDT 2016},

  month        = {Tue Oct 04 00:00:00 EDT 2016}

}

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DOI: https://doi.org/10.17188/1206527

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