Materials Data on Eu(SiPt)2 by Materials Project

doi:10.17188/1654915

Title: Materials Data on Eu(SiPt)2 by Materials Project

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Abstract

EuPt2Si2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Eu2+ is bonded to eight Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with sixteen PtSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with eight PtSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonal bipyramids. There are a spread of Eu–Si bond distances ranging from 3.24–3.29 Å. There are two inequivalent Pt3+ sites. In the first Pt3+ site, Pt3+ is bonded to four Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.49 Å) Pt–Si bond lengths. In the second Pt3+ site, Pt3+ is bonded to four Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.47–2.49 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-1076931

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; Eu(SiPt)2; Eu-Pt-Si

OSTI Identifier:: 1654915

DOI:: https://doi.org/10.17188/1654915

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                    The Materials Project. Materials Data on Eu(SiPt)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654915.

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                    The Materials Project. Materials Data on Eu(SiPt)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654915

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                    The Materials Project. 2020.  
"Materials Data on Eu(SiPt)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654915.  https://www.osti.gov/servlets/purl/1654915. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1654915,

  title        = {Materials Data on Eu(SiPt)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {EuPt2Si2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Eu2+ is bonded to eight Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with sixteen PtSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with eight PtSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonal bipyramids. There are a spread of Eu–Si bond distances ranging from 3.24–3.29 Å. There are two inequivalent Pt3+ sites. In the first Pt3+ site, Pt3+ is bonded to four Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.49 Å) Pt–Si bond lengths. In the second Pt3+ site, Pt3+ is bonded to four Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.47–2.49 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four Pt3+, and one Si4- atom. The Si–Si bond length is 2.46 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four Pt3+, and one Si4- atom.},

  doi          = {10.17188/1654915},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1654915

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