Materials Data on Sm(Cd10Ni)2 by Materials Project

doi:10.17188/1711040

Title: Materials Data on Sm(Cd10Ni)2 by Materials Project

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Abstract

Sm(NiCd10)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 (3.41 Å) and twelve longer (3.45 Å) Sm–Cd bond lengths. Ni is bonded to twelve Cd atoms to form NiCd12 cuboctahedra that share corners with six equivalent NiCd12 cuboctahedra, edges with eighteen equivalent CdSmCd10Ni cuboctahedra, and faces with six equivalent CdSmCd10Ni cuboctahedra. There are six shorter (2.79 Å) and six longer (3.08 Å) Ni–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 Ni and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.12 Å. In the second Cd site, Cd is bonded to one Sm, one Ni, and ten Cd atoms to form distorted CdSmCd10Ni cuboctahedra that share corners with fifteen equivalent CdSmCd10Ni cuboctahedra, edges with two equivalent CdSmCd10Ni cuboctahedra, edges with three equivalent NiCd12 cuboctahedra, a faceface with one NiCd12 cuboctahedra, and faces with fifteen equivalent CdSmCd10Ni cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.90–3.35 Å. In the third Cd site, Cd is bonded in a distortedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1197639

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; Sm(Cd10Ni)2; Cd-Ni-Sm

OSTI Identifier:: 1711040

DOI:: https://doi.org/10.17188/1711040

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                    The Materials Project. Materials Data on Sm(Cd10Ni)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711040.

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                    The Materials Project. Materials Data on Sm(Cd10Ni)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711040

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                    The Materials Project. 2020.  
"Materials Data on Sm(Cd10Ni)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711040.  https://www.osti.gov/servlets/purl/1711040. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711040,

  title        = {Materials Data on Sm(Cd10Ni)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm(NiCd10)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 (3.41 Å) and twelve longer (3.45 Å) Sm–Cd bond lengths. Ni is bonded to twelve Cd atoms to form NiCd12 cuboctahedra that share corners with six equivalent NiCd12 cuboctahedra, edges with eighteen equivalent CdSmCd10Ni cuboctahedra, and faces with six equivalent CdSmCd10Ni cuboctahedra. There are six shorter (2.79 Å) and six longer (3.08 Å) Ni–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 Ni and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.12 Å. In the second Cd site, Cd is bonded to one Sm, one Ni, and ten Cd atoms to form distorted CdSmCd10Ni cuboctahedra that share corners with fifteen equivalent CdSmCd10Ni cuboctahedra, edges with two equivalent CdSmCd10Ni cuboctahedra, edges with three equivalent NiCd12 cuboctahedra, a faceface with one NiCd12 cuboctahedra, and faces with fifteen equivalent CdSmCd10Ni cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.90–3.35 Å. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Sm and twelve equivalent Cd atoms.},

  doi          = {10.17188/1711040},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711040

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