Materials Data on Dy(SiPt)2 by Materials Project

doi:10.17188/1654995

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

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Abstract

Dy(PtSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.20 Å) and four longer (3.27 Å) Dy–Pt bond lengths. There are four shorter (3.19 Å) and four longer (3.21 Å) Dy–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to four equivalent Dy and four equivalent Si atoms to form distorted PtDy4Si4 tetrahedra that share corners with twelve equivalent SiDy4Pt4 tetrahedra, edges with two equivalent SiDy4Pt4 tetrahedra, edges with four equivalent PtDy4Si4 tetrahedra, and faces with four equivalent PtDy4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Dy and five Si atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Dy and four equivalent Pt atoms to form distorted SiDy4Pt4 tetrahedra that share corners with twelve equivalent PtDy4Si4 tetrahedra, edges with two equivalent PtDy4Si4 tetrahedra, edges with four equivalent SiDy4Pt4 tetrahedra, and facesmore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-1080061

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

OSTI Identifier:: 1654995

DOI:: https://doi.org/10.17188/1654995

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                    The Materials Project. Materials Data on Dy(SiPt)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654995.

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                    The Materials Project. Materials Data on Dy(SiPt)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654995

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                    The Materials Project. 2020.  
"Materials Data on Dy(SiPt)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654995.  https://www.osti.gov/servlets/purl/1654995. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1654995,

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

  author       = {The Materials Project},

  abstractNote = {Dy(PtSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.20 Å) and four longer (3.27 Å) Dy–Pt bond lengths. There are four shorter (3.19 Å) and four longer (3.21 Å) Dy–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to four equivalent Dy and four equivalent Si atoms to form distorted PtDy4Si4 tetrahedra that share corners with twelve equivalent SiDy4Pt4 tetrahedra, edges with two equivalent SiDy4Pt4 tetrahedra, edges with four equivalent PtDy4Si4 tetrahedra, and faces with four equivalent PtDy4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Dy and five Si atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Dy and four equivalent Pt atoms to form distorted SiDy4Pt4 tetrahedra that share corners with twelve equivalent PtDy4Si4 tetrahedra, edges with two equivalent PtDy4Si4 tetrahedra, edges with four equivalent SiDy4Pt4 tetrahedra, and faces with four equivalent SiDy4Pt4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Dy and five Pt atoms.},

  doi          = {10.17188/1654995},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1654995

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Materials Data on Dy(SiPt)2 by Materials Project

Dataset The Materials Project

Dy(PtSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Dy–Pt bond lengths are 3.24 Å. All Dy–Si bond lengths are 3.19 Å. Pt is bonded to four equivalent Dy and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PtDy4Si4 tetrahedra. All Pt–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Pt, and one Si atom. The Si–Si bond length is 2.32 Å.
Materials Data on Dy(SiPt)2 by Materials Project

Dataset The Materials Project

Dy(PtSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Dy–Pt bond lengths are 3.27 Å. All Dy–Si bond lengths are 3.28 Å. Pt is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Si atoms. All Pt–Si bond lengths are 2.41 Å. Si is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Pt atoms.
Materials Data on Y(SiPt)2 by Materials Project

Dataset The Materials Project

Y(PtSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Y–Pt bond lengths are 3.24 Å. All Y–Si bond lengths are 3.19 Å. Pt is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing PtY4Si4 tetrahedra. All Pt–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Pt, and one Si atom. The Si–Si bond length is 2.33 Å.
Materials Data on La(SiPt)2 by Materials Project

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LaPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to eight equivalent Si4- atoms to form LaSi8 hexagonal bipyramids that share corners with sixteen equivalent PtSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, edges with eight equivalent PtSi4 tetrahedra, and faces with four equivalent LaSi8 hexagonal bipyramids. All La–Si bond lengths are 3.29 Å. Pt3+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent LaSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, and edges with four equivalentmore »« less
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CePt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.26 Å) and four longer (3.28 Å) Ce–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four equivalent Ce4+ and four equivalent Si atoms. All Pt–Si bond lengths are 2.50 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Ce4+ and five Si atoms. There are one shorter (2.42 Å) and four longermore »« less

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