Materials Data on Lu4CdPd by Materials Project

doi:10.17188/1739471

Title: Materials Data on Lu4CdPd by Materials Project

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Abstract

Lu4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Lu–Pd bond lengths are 2.80 Å. All Lu–Cd bond lengths are 3.29 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 2.81 Å. Both Lu–Cd bond lengths are 3.45 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 3.46 Å. Both Lu–Cd bond lengths are 3.18 Å. Pd is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.15 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1210768

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; Lu4CdPd; Cd-Lu-Pd

OSTI Identifier:: 1739471

DOI:: https://doi.org/10.17188/1739471

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                    The Materials Project. Materials Data on Lu4CdPd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739471.

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                    The Materials Project. Materials Data on Lu4CdPd by Materials Project.  United States.  doi:https://doi.org/10.17188/1739471

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                    The Materials Project. 2020.  
"Materials Data on Lu4CdPd by Materials Project".  United States.  doi:https://doi.org/10.17188/1739471.  https://www.osti.gov/servlets/purl/1739471. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1739471,

  title        = {Materials Data on Lu4CdPd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Lu–Pd bond lengths are 2.80 Å. All Lu–Cd bond lengths are 3.29 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 2.81 Å. Both Lu–Cd bond lengths are 3.45 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 3.46 Å. Both Lu–Cd bond lengths are 3.18 Å. Pd is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.15 Å.},

  doi          = {10.17188/1739471},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1739471

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