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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PuPt5 by Materials Project

PuPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu6+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+1.20- atoms. There are six shorter (3.08 Å) and twelve longer (3.48 Å) Pu–Pt bond lengths. There are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to four equivalent Pu6+ and eight Pt+1.20- atoms to form a mixture of corner, edge, and face-sharing PtPu4Pt8 cuboctahedra. There are four shorter (2.67 Å) and four longer (2.71 Å) Pt–Pt bond lengths. In the second Pt+1.20- site, Pt+1.20- is bonded in a 12-coordinate geometry to three equivalent Pu6+ and nine Pt+1.20- atoms. All Pt–Pt bond lengths are 3.08 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuPt5 by Materials Project

PuPt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pu3+ is bonded in a 12-coordinate geometry to sixteen Pt+0.60- atoms. There are twelve shorter (3.13 Å) and four longer (3.27 Å) Pu–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded to four equivalent Pu3+ and twelve equivalent Pt+0.60- atoms to form distorted PtPu4Pt12 tetrahedra that share corners with twelve equivalent PtPu3Pt9 cuboctahedra, faces with twenty-eight equivalent PtPu3Pt9 cuboctahedra, and faces with twelve equivalent PtPu4Pt12 tetrahedra. All Pt–Pt bond lengths are 3.13 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to three equivalent Pu3+ and nine Pt+0.60- atoms to form distorted PtPu3Pt9 cuboctahedra that share corners with eighteen equivalent PtPu3Pt9 cuboctahedra, corners with three equivalent PtPu4Pt12 tetrahedra, edges with six equivalent PtPu3Pt9 cuboctahedra, faces with eighteen equivalent PtPu3Pt9 cuboctahedra, and faces with seven equivalent PtPu4Pt12 tetrahedra. There are three shorter (2.66 Å) and three longer (2.68 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗