Materials Data on Gd(SiPt)2 by Materials Project

doi:10.17188/1279636

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

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Abstract

GdPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.21 Å) and four longer (3.30 Å) Gd–Pt bond lengths. There are four shorter (3.21 Å) and four longer (3.23 Å) Gd–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Gd and five Si atoms. There are one shorter (2.41 Å) and four longer (2.44 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted face and edge-sharing PtGd4Si4 tetrahedra. All Pt–Si bond lengths are 2.49 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Gd and five Pt atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Pt atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-637220

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

OSTI Identifier:: 1279636

DOI:: https://doi.org/10.17188/1279636

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                    The Materials Project. Materials Data on Gd(SiPt)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279636.

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                    The Materials Project. Materials Data on Gd(SiPt)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279636

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                    The Materials Project. 2020.  
"Materials Data on Gd(SiPt)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279636.  https://www.osti.gov/servlets/purl/1279636. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1279636,

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

  author       = {The Materials Project},

  abstractNote = {GdPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.21 Å) and four longer (3.30 Å) Gd–Pt bond lengths. There are four shorter (3.21 Å) and four longer (3.23 Å) Gd–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Gd and five Si atoms. There are one shorter (2.41 Å) and four longer (2.44 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted face and edge-sharing PtGd4Si4 tetrahedra. All Pt–Si bond lengths are 2.49 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Gd and five Pt atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Pt atoms.},

  doi          = {10.17188/1279636},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279636

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Materials Data on Gd(SiPt)2 by Materials Project

Dataset The Materials Project

GdPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Gd–Pt bond lengths are 3.25 Å. All Gd–Si bond lengths are 3.20 Å. Pt is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing PtGd4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. Si is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Pt, and one Si atom. The Si–Si bond length is 2.36 Å.
Materials Data on Gd(SiPt)2 by Materials Project

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GdPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Gd–Pt bond lengths are 3.30 Å. All Gd–Si bond lengths are 3.29 Å. Pt is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Si atoms. All Pt–Si bond lengths are 2.42 Å. Si is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Pt atoms.
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