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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaSiPt by Materials Project

CaPtSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Si4- atoms to form distorted corner-sharing CaSi4 tetrahedra. There are three shorter (3.20 Å) and one longer (3.25 Å) Ca–Si bond lengths. Pt2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Pt–Si bond lengths are 2.33 Å. Si4- is bonded in a 3-coordinate geometry to four equivalent Ca2+ and three equivalent Pt2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaSiPt by Materials Project

CaPtSi crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Ca–Si bond distances ranging from 3.04–3.24 Å. Pt2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.46 Å. Si4- is bonded in a 3-coordinate geometry to five equivalent Ca2+ and three equivalent Pt2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaSiPt by Materials Project

CaPtSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. There are a spread of Ca–Si bond distances ranging from 3.03–3.27 Å. Pt2+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing PtSi4 trigonal pyramids. There are a spread of Pt–Si bond distances ranging from 2.53–2.62 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Ca2+ and four equivalent Pt2+ atoms.

36 MATERIALS SCIENCE↗