Materials Data on SmSiPt3 by Materials Project

doi:10.17188/1685578

Title: Materials Data on SmSiPt3 by Materials Project

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Abstract

SmPt3Si is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing SmPt12 cuboctahedra. There are a spread of Sm–Pt bond distances ranging from 2.98–3.49 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Si4+ atoms. Both Pt–Si bond lengths are 2.40 Å. In the second Pt2- site, Pt2- is bonded in a 1-coordinate geometry to four equivalent Sm2+ and one Si4+ atom. The Pt–Si bond length is 2.29 Å. Si4+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1207210

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; SmSiPt3; Pt-Si-Sm

OSTI Identifier:: 1685578

DOI:: https://doi.org/10.17188/1685578

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                    The Materials Project. Materials Data on SmSiPt3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685578.

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                    The Materials Project. Materials Data on SmSiPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685578

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                    The Materials Project. 2019.  
"Materials Data on SmSiPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685578.  https://www.osti.gov/servlets/purl/1685578. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1685578,

  title        = {Materials Data on SmSiPt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmPt3Si is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing SmPt12 cuboctahedra. There are a spread of Sm–Pt bond distances ranging from 2.98–3.49 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Si4+ atoms. Both Pt–Si bond lengths are 2.40 Å. In the second Pt2- site, Pt2- is bonded in a 1-coordinate geometry to four equivalent Sm2+ and one Si4+ atom. The Pt–Si bond length is 2.29 Å. Si4+ is bonded in a 5-coordinate geometry to five Pt2- atoms.},

  doi          = {10.17188/1685578},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685578

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