Materials Data on Nd4CdPd by Materials Project

doi:10.17188/1707498

Title: Materials Data on Nd4CdPd by Materials Project

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Abstract

Nd4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Nd–Pd bond lengths are 2.95 Å. All Nd–Cd bond lengths are 3.54 Å. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Nd–Pd bond lengths are 2.96 Å. Both Nd–Cd bond lengths are 3.61 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Nd–Pd bond lengths are 3.66 Å. Both Nd–Cd bond lengths are 3.41 Å. Pd is bonded in a 6-coordinate geometry to nine Nd atoms. Cd is bonded to nine Nd and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.22 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1209976

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; Nd4CdPd; Cd-Nd-Pd

OSTI Identifier:: 1707498

DOI:: https://doi.org/10.17188/1707498

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                    The Materials Project. Materials Data on Nd4CdPd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707498.

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                    The Materials Project. Materials Data on Nd4CdPd by Materials Project.  United States.  doi:https://doi.org/10.17188/1707498

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                    The Materials Project. 2020.  
"Materials Data on Nd4CdPd by Materials Project".  United States.  doi:https://doi.org/10.17188/1707498.  https://www.osti.gov/servlets/purl/1707498. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1707498,

  title        = {Materials Data on Nd4CdPd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Nd–Pd bond lengths are 2.95 Å. All Nd–Cd bond lengths are 3.54 Å. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Nd–Pd bond lengths are 2.96 Å. Both Nd–Cd bond lengths are 3.61 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Nd–Pd bond lengths are 3.66 Å. Both Nd–Cd bond lengths are 3.41 Å. Pd is bonded in a 6-coordinate geometry to nine Nd atoms. Cd is bonded to nine Nd and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.22 Å.},

  doi          = {10.17188/1707498},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1707498

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