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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DySiPt by Materials Project

DyPtSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Si atoms. There are a spread of Dy–Pt bond distances ranging from 2.99–3.21 Å. There are a spread of Dy–Si bond distances ranging from 2.98–3.18 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Si atoms. There are a spread of Pt–Si bond distances ranging from 2.51–2.71 Å. Si is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(SiPt)2 by 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(SiPt)2 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(SiPt)2 by 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySiPt2 by Materials Project

DyPt2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eight equivalent Pt and three equivalent Si atoms. There are a spread of Dy–Pt bond distances ranging from 3.00–3.17 Å. There are a spread of Dy–Si bond distances ranging from 2.98–3.02 Å. Pt is bonded in a 12-coordinate geometry to four equivalent Dy and three equivalent Si atoms. There are a spread of Pt–Si bond distances ranging from 2.50–2.63 Å. Si is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Si11Pt23 by Materials Project

Dy3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy3+ is bonded to eight equivalent Pt+1.26- atoms to form distorted corner-sharing DyPt8 cuboctahedra. All Dy–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.26- sites. In the first Pt+1.26- site, Pt+1.26- is bonded in a distorted square co-planar geometry to four equivalent Si+1.82+ atoms. All Pt–Si bond lengths are 2.58 Å. In the second Pt+1.26- site, Pt+1.26- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and three Si+1.82+ atoms. There are one shorter (2.43 Å) and two longer (2.46 Å) Pt–Si bond lengths. In the third Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.49 Å) Pt–Si bond lengths. In the fourth Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.51 Å. There are three inequivalent Si+1.82+ sites. In the first Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms. In the second Si+1.82+ site, Si+1.82+ is bonded in a body-centered cubic geometry to eight Pt+1.26- atoms. In the third Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms.

36 MATERIALS SCIENCE↗