Materials Data on SnPtSe by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1753647/
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资源简介：
PtSnSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Sn4+ and three equivalent Se2- atoms to form PtSn3Se3 octahedra that share corners with twelve equivalent PtSn3Se3 octahedra, corners with three equivalent SnPt3Se tetrahedra, and corners with three equivalent SeSnPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 63–64°. All Pt–Sn bond lengths are 2.67 Å. All Pt–Se bond lengths are 2.63 Å. Sn4+ is bonded to three equivalent Pt2- and one Se2- atom to form SnPt3Se tetrahedra that share corners with three equivalent PtSn3Se3 octahedra, corners with six equivalent SnPt3Se tetrahedra, and corners with nine equivalent SeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sn–Se bond length is 2.70 Å. Se2- is bonded to three equivalent Pt2- and one Sn4+ atom to form SeSnPt3 trigonal pyramids that share corners with three equivalent PtSn3Se3 octahedra, corners with nine equivalent SnPt3Se tetrahedra, and corners with six equivalent SeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 79°.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
