Materials Data on Pu5Ir4 by Materials Project

doi:10.17188/1197109

Title: Materials Data on Pu5Ir4 by Materials Project

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Abstract

Pu5Ir4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Pu–Ir bond distances ranging from 2.63–3.20 Å. In the second Pu site, Pu is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Pu–Ir bond distances ranging from 2.67–2.91 Å. In the third Pu site, Pu is bonded in a 7-coordinate geometry to seven Ir atoms. There are a spread of Pu–Ir bond distances ranging from 2.77–3.23 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 5-coordinate geometry to eight Pu and one Ir atom. The Ir–Ir bond length is 2.78 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to eight Pu and one Ir atom. In the third Ir site, Ir is bonded in a 5-coordinate geometry to eight Pu and one Ir atom. The Ir–Ir bond length is 2.91 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-21674

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; Pu5Ir4; Ir-Pu

OSTI Identifier:: 1197109

DOI:: https://doi.org/10.17188/1197109

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                    The Materials Project. Materials Data on Pu5Ir4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197109.

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                    The Materials Project. Materials Data on Pu5Ir4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197109

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                    The Materials Project. 2020.  
"Materials Data on Pu5Ir4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197109.  https://www.osti.gov/servlets/purl/1197109. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1197109,

  title        = {Materials Data on Pu5Ir4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pu5Ir4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Pu–Ir bond distances ranging from 2.63–3.20 Å. In the second Pu site, Pu is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Pu–Ir bond distances ranging from 2.67–2.91 Å. In the third Pu site, Pu is bonded in a 7-coordinate geometry to seven Ir atoms. There are a spread of Pu–Ir bond distances ranging from 2.77–3.23 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 5-coordinate geometry to eight Pu and one Ir atom. The Ir–Ir bond length is 2.78 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to eight Pu and one Ir atom. In the third Ir site, Ir is bonded in a 5-coordinate geometry to eight Pu and one Ir atom. The Ir–Ir bond length is 2.91 Å.},

  doi          = {10.17188/1197109},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1197109

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