Materials Data on SmSi3Pt by Materials Project

doi:10.17188/1672427

Title: Materials Data on SmSi3Pt by Materials Project

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Abstract

SmPtSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Si+1.33- atoms to form a mixture of edge, face, and corner-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 3.13–3.33 Å. Pt2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Pt2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Sm2+ and one Pt2+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1207214

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; SmSi3Pt; Pt-Si-Sm

OSTI Identifier:: 1672427

DOI:: https://doi.org/10.17188/1672427

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                    The Materials Project. Materials Data on SmSi3Pt by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1672427.

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                    The Materials Project. Materials Data on SmSi3Pt by Materials Project.  United States.  doi:https://doi.org/10.17188/1672427

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                    The Materials Project. 2019.  
"Materials Data on SmSi3Pt by Materials Project".  United States.  doi:https://doi.org/10.17188/1672427.  https://www.osti.gov/servlets/purl/1672427. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1672427,

  title        = {Materials Data on SmSi3Pt by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmPtSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Si+1.33- atoms to form a mixture of edge, face, and corner-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 3.13–3.33 Å. Pt2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Pt2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Sm2+ and one Pt2+ atom.},

  doi          = {10.17188/1672427},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1672427

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