Materials Data on Dy3Si11Pt23 by Materials Project

doi:10.17188/1751165

Title: Materials Data on Dy3Si11Pt23 by Materials Project

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Abstract

Dy3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy3+ is bonded to eight equivalent Pt+1.26- atoms to form distorted corner-sharing DyPt8 cuboctahedra. All Dy–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.26- sites. In the first Pt+1.26- site, Pt+1.26- is bonded in a distorted square co-planar geometry to four equivalent Si+1.82+ atoms. All Pt–Si bond lengths are 2.58 Å. In the second Pt+1.26- site, Pt+1.26- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and three Si+1.82+ atoms. There are one shorter (2.43 Å) and two longer (2.46 Å) Pt–Si bond lengths. In the third Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.49 Å) Pt–Si bond lengths. In the fourth Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.51 Å. There are three inequivalent Si+1.82+ sites. In the first Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms. In the second Si+1.82+ site, Si+1.82+ is bonded in a body-centered cubic geometrymore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1200984

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; Dy3Si11Pt23; Dy-Pt-Si

OSTI Identifier:: 1751165

DOI:: https://doi.org/10.17188/1751165

Citation Formats


                    The Materials Project. Materials Data on Dy3Si11Pt23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751165.

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                    The Materials Project. Materials Data on Dy3Si11Pt23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751165

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                    The Materials Project. 2020.  
"Materials Data on Dy3Si11Pt23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751165.  https://www.osti.gov/servlets/purl/1751165. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1751165,

  title        = {Materials Data on Dy3Si11Pt23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy3+ is bonded to eight equivalent Pt+1.26- atoms to form distorted corner-sharing DyPt8 cuboctahedra. All Dy–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.26- sites. In the first Pt+1.26- site, Pt+1.26- is bonded in a distorted square co-planar geometry to four equivalent Si+1.82+ atoms. All Pt–Si bond lengths are 2.58 Å. In the second Pt+1.26- site, Pt+1.26- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and three Si+1.82+ atoms. There are one shorter (2.43 Å) and two longer (2.46 Å) Pt–Si bond lengths. In the third Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.49 Å) Pt–Si bond lengths. In the fourth Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.51 Å. There are three inequivalent Si+1.82+ sites. In the first Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms. In the second Si+1.82+ site, Si+1.82+ is bonded in a body-centered cubic geometry to eight Pt+1.26- atoms. In the third Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms.},

  doi          = {10.17188/1751165},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1751165

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