Materials Data on Sm(Cd10Pd)2 by Materials Project

doi:10.17188/1707995

Title: Materials Data on Sm(Cd10Pd)2 by Materials Project

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Abstract

Sm(PdCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.45 Å) and twelve longer (3.47 Å) Sm–Cd bond lengths. Pd is bonded to twelve Cd atoms to form PdCd12 cuboctahedra that share corners with six equivalent PdCd12 cuboctahedra, edges with eighteen equivalent CdSmCd10Pd cuboctahedra, and faces with six equivalent CdSmCd10Pd cuboctahedra. There are six shorter (2.83 Å) and six longer (3.14 Å) Pd–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted linear geometry to two equivalent Pd and six equivalent Cd atoms. There are two shorter (3.00 Å) and four longer (3.16 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to one Sm, one Pd, and ten Cd atoms to form distorted CdSmCd10Pd cuboctahedra that share corners with fifteen equivalent CdSmCd10Pd cuboctahedra, edges with two equivalent CdSmCd10Pd cuboctahedra, edges with three equivalent PdCd12 cuboctahedra, a faceface with one PdCd12 cuboctahedra, and faces with fifteen equivalent CdSmCd10Pd cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.91–3.37 Å. In the third Cd site, Cd is bondedmore »« less

Publication Date:: 2020-05-03

Other Number(s):: mp-1204974

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cd-Pd-Sm; Sm(Cd10Pd)2; crystal structure

OSTI Identifier:: 1707995

DOI:: https://doi.org/10.17188/1707995

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                    Materials Data on Sm(Cd10Pd)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707995.

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                    Materials Data on Sm(Cd10Pd)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707995

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                    2020.  
"Materials Data on Sm(Cd10Pd)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707995.  https://www.osti.gov/servlets/purl/1707995. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1707995,

  title        = {Materials Data on Sm(Cd10Pd)2 by Materials Project},

  
  abstractNote = {Sm(PdCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.45 Å) and twelve longer (3.47 Å) Sm–Cd bond lengths. Pd is bonded to twelve Cd atoms to form PdCd12 cuboctahedra that share corners with six equivalent PdCd12 cuboctahedra, edges with eighteen equivalent CdSmCd10Pd cuboctahedra, and faces with six equivalent CdSmCd10Pd cuboctahedra. There are six shorter (2.83 Å) and six longer (3.14 Å) Pd–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted linear geometry to two equivalent Pd and six equivalent Cd atoms. There are two shorter (3.00 Å) and four longer (3.16 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to one Sm, one Pd, and ten Cd atoms to form distorted CdSmCd10Pd cuboctahedra that share corners with fifteen equivalent CdSmCd10Pd cuboctahedra, edges with two equivalent CdSmCd10Pd cuboctahedra, edges with three equivalent PdCd12 cuboctahedra, a faceface with one PdCd12 cuboctahedra, and faces with fifteen equivalent CdSmCd10Pd cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.91–3.37 Å. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Sm and twelve equivalent Cd atoms.},

  doi          = {10.17188/1707995},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707995

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