Materials Data on NpAl2Pd5 by Materials Project

doi:10.17188/1274993

Title: Materials Data on NpAl2Pd5 by Materials Project

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Abstract

NpPd5Al2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Pd atoms to form a mixture of corner and face-sharing NpPd12 cuboctahedra. There are four shorter (2.95 Å) and eight longer (3.02 Å) Np–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Np atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Np and four equivalent Al atoms. There are two shorter (2.58 Å) and two longer (2.64 Å) Pd–Al bond lengths. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-569227

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; NpAl2Pd5; Al-Np-Pd

OSTI Identifier:: 1274993

DOI:: https://doi.org/10.17188/1274993

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                    The Materials Project. Materials Data on NpAl2Pd5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274993.

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                    The Materials Project. Materials Data on NpAl2Pd5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274993

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                    The Materials Project. 2020.  
"Materials Data on NpAl2Pd5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274993.  https://www.osti.gov/servlets/purl/1274993. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1274993,

  title        = {Materials Data on NpAl2Pd5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NpPd5Al2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Pd atoms to form a mixture of corner and face-sharing NpPd12 cuboctahedra. There are four shorter (2.95 Å) and eight longer (3.02 Å) Np–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Np atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Np and four equivalent Al atoms. There are two shorter (2.58 Å) and two longer (2.64 Å) Pd–Al bond lengths. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.},

  doi          = {10.17188/1274993},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274993

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