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Materials Data on Yb(SiPt)2 by Materials Project

YbPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent Si4- atoms to form YbSi8 hexagonal bipyramids that share corners with sixteen equivalent PtSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, edges with eight equivalent PtSi4 tetrahedra, and faces with four equivalent YbSi8 hexagonal bipyramids. All Yb–Si bond lengths are 3.22 Å. Pt3+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent YbSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. All Pt–Si bond lengths are 2.46 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb2+, four equivalent Pt3+, and one Si4- atom. The Si–Si bond length is 2.39 Å.

36 MATERIALS SCIENCE↗

Materials Data on YbSiPt2 by Materials Project

YbPt2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 3-coordinate geometry to three equivalent Si4- atoms. There are one shorter (2.95 Å) and two longer (2.97 Å) Yb–Si bond lengths. Pt1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si4- atoms. There are a spread of Pt–Si bond distances ranging from 2.47–2.57 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Yb2+ and six equivalent Pt1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on YbSiPt by Materials Project

YbPtSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 4-coordinate geometry to six equivalent Si4- atoms. There are a spread of Yb–Si bond distances ranging from 3.03–3.24 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 2.48–2.58 Å. Si4- is bonded in a 4-coordinate geometry to six equivalent Yb2+ and four equivalent Pt2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb3Si11Pt23 by Materials Project

Yb3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent Pt+1.83- atoms to form distorted corner-sharing YbPt8 cuboctahedra. All Yb–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.83- sites. In the first Pt+1.83- site, Pt+1.83- is bonded in a distorted square co-planar geometry to four equivalent Si+3.27+ atoms. All Pt–Si bond lengths are 2.59 Å. In the second Pt+1.83- site, Pt+1.83- is bonded in a 5-coordinate geometry to two equivalent Yb2+ and three Si+3.27+ atoms. There are a spread of Pt–Si bond distances ranging from 2.43–2.47 Å. In the third Pt+1.83- site, Pt+1.83- is bonded to four Si+3.27+ atoms to form a mixture of edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.41 Å) and three longer (2.50 Å) Pt–Si bond lengths. In the fourth Pt+1.83- site, Pt+1.83- is bonded to four Si+3.27+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.52 Å. There are three inequivalent Si+3.27+ sites. In the first Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt+1.83- atoms. In the second Si+3.27+ site, Si+3.27+ is bonded in a body-centered cubic geometry to eight Pt+1.83- atoms. In the third Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt+1.83- atoms.

36 MATERIALS SCIENCE↗