Materials Data on SnSbPt by Materials Project

doi:10.17188/1707028

Title: Materials Data on SnSbPt by Materials Project

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Abstract

PtSnSb is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Sn4+ and two equivalent Sb2- atoms to form PtSn4Sb2 octahedra that share corners with eight equivalent PtSn2Sb4 octahedra, corners with two equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn4Sb2 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. All Pt–Sn bond lengths are 2.72 Å. Both Pt–Sb bond lengths are 2.67 Å. In the second Pt2- site, Pt2- is bonded to two equivalent Sn4+ and four equivalent Sb2- atoms to form PtSn2Sb4 octahedra that share corners with eight equivalent PtSn4Sb2 octahedra, corners with four equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn2Sb4 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. Both Pt–Sn bond lengths are 2.72 Å. All Pt–Sb bond lengths are 2.70 Å. Sn4+ is bonded in a distorted trigonal planar geometry to three Pt2- atoms. Sb2- is bonded to three Pt2- and one Sb2- atom to form distorted SbSbPt3 tetrahedra that share corners with three PtSn4Sb2 octahedra, corners with five equivalent SbSbPt3 tetrahedra, and an edgeedge with one SbSbPt3 tetrahedra. The corner-sharingmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1218928

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; SnSbPt; Pt-Sb-Sn

OSTI Identifier:: 1707028

DOI:: https://doi.org/10.17188/1707028

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                    The Materials Project. Materials Data on SnSbPt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707028.

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                    The Materials Project. Materials Data on SnSbPt by Materials Project.  United States.  doi:https://doi.org/10.17188/1707028

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                    The Materials Project. 2020.  
"Materials Data on SnSbPt by Materials Project".  United States.  doi:https://doi.org/10.17188/1707028.  https://www.osti.gov/servlets/purl/1707028. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1707028,

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

  author       = {The Materials Project},

  abstractNote = {PtSnSb is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Sn4+ and two equivalent Sb2- atoms to form PtSn4Sb2 octahedra that share corners with eight equivalent PtSn2Sb4 octahedra, corners with two equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn4Sb2 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. All Pt–Sn bond lengths are 2.72 Å. Both Pt–Sb bond lengths are 2.67 Å. In the second Pt2- site, Pt2- is bonded to two equivalent Sn4+ and four equivalent Sb2- atoms to form PtSn2Sb4 octahedra that share corners with eight equivalent PtSn4Sb2 octahedra, corners with four equivalent SbSbPt3 tetrahedra, and edges with two equivalent PtSn2Sb4 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. Both Pt–Sn bond lengths are 2.72 Å. All Pt–Sb bond lengths are 2.70 Å. Sn4+ is bonded in a distorted trigonal planar geometry to three Pt2- atoms. Sb2- is bonded to three Pt2- and one Sb2- atom to form distorted SbSbPt3 tetrahedra that share corners with three PtSn4Sb2 octahedra, corners with five equivalent SbSbPt3 tetrahedra, and an edgeedge with one SbSbPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–77°. The Sb–Sb bond length is 2.93 Å.},

  doi          = {10.17188/1707028},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707028

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