Materials Data on Pr2(SiPt)3 by Materials Project

doi:10.17188/1687638

Title: Materials Data on Pr2(SiPt)3 by Materials Project

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Abstract

Pr2(PtSi)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded to four equivalent Pr3+, one Pt+0.67-, and one Si+1.33- atom to form a mixture of distorted corner and edge-sharing PrPr4SiPt octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Pr bond lengths are 2.82 Å. The Pr–Pt bond length is 2.86 Å. The Pr–Si bond length is 3.06 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometry to one Pr3+ and one Si+1.33- atom. The Pt–Si bond length is 2.37 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometry to two equivalent Si+1.33- atoms. Both Pt–Si bond lengths are 2.35 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted linear geometry to one Pr3+ and one Pt+0.67- atom. In the second Si+1.33- site, Si+1.33- is bonded in a linear geometry to two equivalent Pt+0.67- atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1206158

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; Pr2(SiPt)3; Pr-Pt-Si

OSTI Identifier:: 1687638

DOI:: https://doi.org/10.17188/1687638

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                    The Materials Project. Materials Data on Pr2(SiPt)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1687638.

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                    The Materials Project. Materials Data on Pr2(SiPt)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687638

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                    The Materials Project. 2019.  
"Materials Data on Pr2(SiPt)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687638.  https://www.osti.gov/servlets/purl/1687638. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1687638,

  title        = {Materials Data on Pr2(SiPt)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2(PtSi)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded to four equivalent Pr3+, one Pt+0.67-, and one Si+1.33- atom to form a mixture of distorted corner and edge-sharing PrPr4SiPt octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Pr bond lengths are 2.82 Å. The Pr–Pt bond length is 2.86 Å. The Pr–Si bond length is 3.06 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometry to one Pr3+ and one Si+1.33- atom. The Pt–Si bond length is 2.37 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometry to two equivalent Si+1.33- atoms. Both Pt–Si bond lengths are 2.35 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted linear geometry to one Pr3+ and one Pt+0.67- atom. In the second Si+1.33- site, Si+1.33- is bonded in a linear geometry to two equivalent Pt+0.67- atoms.},

  doi          = {10.17188/1687638},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1687638

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