Materials Data on Sm2In8Pd by Materials Project

doi:10.17188/1673149

Title: Materials Data on Sm2In8Pd by Materials Project

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Abstract

Sm2PdIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve In atoms to form SmIn12 cuboctahedra that share corners with eight equivalent SmIn12 cuboctahedra, edges with twelve InSm4In8 cuboctahedra, faces with five equivalent SmIn12 cuboctahedra, and faces with eight InSm4In8 cuboctahedra. There are a spread of Sm–In bond distances ranging from 3.28–3.37 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pd–In bond lengths are 2.83 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Pd, and two equivalent In atoms. Both In–In bond lengths are 3.26 Å. In the second In site, In is bonded to four equivalent Sm and eight In atoms to form distorted InSm4In8 cuboctahedra that share corners with four equivalent InSm4In8 cuboctahedra, edges with eight equivalent SmIn12 cuboctahedra, edges with eight equivalent InSm4In8 cuboctahedra, faces with four equivalent SmIn12 cuboctahedra, and faces with twelve InSm4In8 cuboctahedra. There are four shorter (3.34 Å) and four longer (3.37 Å) In–In bond lengths. In the third In site, In is bonded to four equivalent Sm and eight In atomsmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1103195

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; Sm2In8Pd; In-Pd-Sm

OSTI Identifier:: 1673149

DOI:: https://doi.org/10.17188/1673149

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                    The Materials Project. Materials Data on Sm2In8Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1673149.

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                    The Materials Project. Materials Data on Sm2In8Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1673149

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                    The Materials Project. 2020.  
"Materials Data on Sm2In8Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1673149.  https://www.osti.gov/servlets/purl/1673149. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1673149,

  title        = {Materials Data on Sm2In8Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2PdIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve In atoms to form SmIn12 cuboctahedra that share corners with eight equivalent SmIn12 cuboctahedra, edges with twelve InSm4In8 cuboctahedra, faces with five equivalent SmIn12 cuboctahedra, and faces with eight InSm4In8 cuboctahedra. There are a spread of Sm–In bond distances ranging from 3.28–3.37 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pd–In bond lengths are 2.83 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Pd, and two equivalent In atoms. Both In–In bond lengths are 3.26 Å. In the second In site, In is bonded to four equivalent Sm and eight In atoms to form distorted InSm4In8 cuboctahedra that share corners with four equivalent InSm4In8 cuboctahedra, edges with eight equivalent SmIn12 cuboctahedra, edges with eight equivalent InSm4In8 cuboctahedra, faces with four equivalent SmIn12 cuboctahedra, and faces with twelve InSm4In8 cuboctahedra. There are four shorter (3.34 Å) and four longer (3.37 Å) In–In bond lengths. In the third In site, In is bonded to four equivalent Sm and eight In atoms to form distorted InSm4In8 cuboctahedra that share corners with eight equivalent InSm4In8 cuboctahedra, edges with four equivalent SmIn12 cuboctahedra, edges with eight equivalent InSm4In8 cuboctahedra, faces with four equivalent SmIn12 cuboctahedra, and faces with nine InSm4In8 cuboctahedra.},

  doi          = {10.17188/1673149},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1673149

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