Materials Data on Nd4CdNi by Materials Project

doi:10.17188/1678657

Title: Materials Data on Nd4CdNi by Materials Project

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Abstract

Nd4NiCd 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 Ni and three equivalent Cd atoms. All Nd–Ni bond lengths are 2.86 Å. All Nd–Cd bond lengths are 3.55 Å. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Nd–Ni bond lengths are 2.86 Å. Both Nd–Cd bond lengths are 3.56 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Nd–Ni bond lengths are 3.57 Å. Both Nd–Cd bond lengths are 3.36 Å. Ni 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 corner and face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.11 Å.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1210076

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; Nd4CdNi; Cd-Nd-Ni

OSTI Identifier:: 1678657

DOI:: https://doi.org/10.17188/1678657

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                    The Materials Project. Materials Data on Nd4CdNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678657.

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                    The Materials Project. Materials Data on Nd4CdNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1678657

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                    The Materials Project. 2020.  
"Materials Data on Nd4CdNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1678657.  https://www.osti.gov/servlets/purl/1678657. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1678657,

  title        = {Materials Data on Nd4CdNi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd4NiCd 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 Ni and three equivalent Cd atoms. All Nd–Ni bond lengths are 2.86 Å. All Nd–Cd bond lengths are 3.55 Å. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Nd–Ni bond lengths are 2.86 Å. Both Nd–Cd bond lengths are 3.56 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Nd–Ni bond lengths are 3.57 Å. Both Nd–Cd bond lengths are 3.36 Å. Ni 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 corner and face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.11 Å.},

  doi          = {10.17188/1678657},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1678657

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