Materials Data on PuZr2 by Materials Project

doi:10.17188/1691101

Title: Materials Data on PuZr2 by Materials Project

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Abstract

PuZr2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to two equivalent Pu and nine Zr atoms. Both Pu–Pu bond lengths are 2.95 Å. There are a spread of Pu–Zr bond distances ranging from 2.88–3.26 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to six equivalent Pu and eight Zr atoms. There are two shorter (2.95 Å) and six longer (3.25 Å) Zr–Zr bond lengths. In the second Zr site, Zr is bonded in a 5-coordinate geometry to three equivalent Pu and eight Zr atoms. Both Zr–Zr bond lengths are 2.95 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219764

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; PuZr2; Pu-Zr

OSTI Identifier:: 1691101

DOI:: https://doi.org/10.17188/1691101

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                    The Materials Project. Materials Data on PuZr2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1691101.

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                    The Materials Project. Materials Data on PuZr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1691101

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                    The Materials Project. 2019.  
"Materials Data on PuZr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1691101.  https://www.osti.gov/servlets/purl/1691101. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1691101,

  title        = {Materials Data on PuZr2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuZr2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to two equivalent Pu and nine Zr atoms. Both Pu–Pu bond lengths are 2.95 Å. There are a spread of Pu–Zr bond distances ranging from 2.88–3.26 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to six equivalent Pu and eight Zr atoms. There are two shorter (2.95 Å) and six longer (3.25 Å) Zr–Zr bond lengths. In the second Zr site, Zr is bonded in a 5-coordinate geometry to three equivalent Pu and eight Zr atoms. Both Zr–Zr bond lengths are 2.95 Å.},

  doi          = {10.17188/1691101},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1691101

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