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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnPt3 by Materials Project

Pt3Zn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Zn2+ atoms to form distorted PtZn4Pt8 cuboctahedra that share corners with twelve equivalent PtZn4Pt8 cuboctahedra, edges with eight equivalent ZnPt12 cuboctahedra, edges with sixteen equivalent PtZn4Pt8 cuboctahedra, faces with four equivalent ZnPt12 cuboctahedra, and faces with fourteen equivalent PtZn4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.78 Å. All Pt–Zn bond lengths are 2.78 Å. Zn2+ is bonded to twelve equivalent Pt+0.67- atoms to form ZnPt12 cuboctahedra that share corners with twelve equivalent ZnPt12 cuboctahedra, edges with twenty-four equivalent PtZn4Pt8 cuboctahedra, faces with six equivalent ZnPt12 cuboctahedra, and faces with twelve equivalent PtZn4Pt8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn12Pt7 by Materials Project

Pt7Zn12 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.63–2.91 Å. In the second Pt site, Pt is bonded in a distorted body-centered cubic geometry to eight Zn atoms. There are four shorter (2.64 Å) and four longer (2.67 Å) Pt–Zn bond lengths. In the third Pt site, Pt is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.63–2.81 Å. In the fourth Pt site, Pt is bonded in a 12-coordinate geometry to eight Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.65–2.69 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and two Zn atoms. There are one shorter (2.69 Å) and one longer (2.73 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and one Zn atom. The Zn–Zn bond length is 2.70 Å. In the third Zn site, Zn is bonded in a 11-coordinate geometry to six Pt and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.80 Å. In the fourth Zn site, Zn is bonded in a 6-coordinate geometry to six Pt and five Zn atoms. There are two shorter (2.80 Å) and one longer (2.94 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded in a 4-coordinate geometry to four Pt and two Zn atoms. In the sixth Zn site, Zn is bonded in a 11-coordinate geometry to four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Pt by Materials Project

PtZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pt is bonded to twelve Zn atoms to form PtZn12 cuboctahedra that share corners with four equivalent PtZn12 cuboctahedra, edges with eight equivalent PtZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Pt4 cuboctahedra, faces with four equivalent PtZn12 cuboctahedra, and faces with eight equivalent ZnZn8Pt4 cuboctahedra. There are four shorter (2.68 Å) and eight longer (2.78 Å) Pt–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pt and eight Zn atoms to form distorted ZnZn8Pt4 cuboctahedra that share corners with twelve equivalent ZnZn8Pt4 cuboctahedra, edges with eight equivalent PtZn12 cuboctahedra, edges with eight equivalent ZnZn8Pt4 cuboctahedra, faces with four equivalent PtZn12 cuboctahedra, and faces with ten equivalent ZnZn8Pt4 cuboctahedra. There are four shorter (2.68 Å) and four longer (2.78 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Pt and eight equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnPt by Materials Project

PtZn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pt2- is bonded in a distorted body-centered cubic geometry to eight equivalent Zn2+ atoms. All Pt–Zn bond lengths are 2.70 Å. Zn2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗