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Materials Data on PuPt2 by Materials Project

PuPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pu4+ is bonded in a 12-coordinate geometry to twelve equivalent Pt2- atoms. All Pu–Pt bond lengths are 3.17 Å. Pt2- is bonded to six equivalent Pu4+ and six equivalent Pt2- atoms to form a mixture of corner, edge, and face-sharing PtPu6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗

Materials Data on PuPt3 by Materials Project

PuPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu6+ is bonded to twelve equivalent Pt2- atoms to form a mixture of face and corner-sharing PuPt12 cuboctahedra. All Pu–Pt bond lengths are 2.94 Å. Pt2- is bonded in a distorted square co-planar geometry to four equivalent Pu6+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on PuPt4 by Materials Project

PuPt4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pu4+ is bonded in a 6-coordinate geometry to fourteen Pt1- atoms. There are a spread of Pu–Pt bond distances ranging from 2.90–3.33 Å. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded in a 3-coordinate geometry to three equivalent Pu4+ and five Pt1- atoms. There are four shorter (2.68 Å) and one longer (2.69 Å) Pt–Pt bond lengths. In the second Pt1- site, Pt1- is bonded in a q6 geometry to four equivalent Pu4+ and six Pt1- atoms. Both Pt–Pt bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗

Materials Data on Pu2Pt by Materials Project

Pu2Pt is Cotunnite structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Pu sites. In the first Pu site, Pu is bonded to four Pt atoms to form a mixture of edge and corner-sharing PuPt4 tetrahedra. There are three shorter (2.92 Å) and one longer (2.93 Å) Pu–Pt bond lengths. In the second Pu site, Pu is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing PuPt4 tetrahedra. There are three shorter (2.93 Å) and one longer (2.95 Å) Pu–Pt bond lengths. In the third Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.96–3.45 Å. In the fourth Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.94–3.48 Å. In the fifth Pu site, Pu is bonded in a 3-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.96–3.52 Å. In the sixth Pu site, Pu is bonded in a 3-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.93–3.53 Å. In the seventh Pu site, Pu is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing PuPt4 tetrahedra. There are a spread of Pu–Pt bond distances ranging from 2.91–2.94 Å. In the eighth Pu site, Pu is bonded to four Pt atoms to form a mixture of edge and corner-sharing PuPt4 tetrahedra. There are one shorter (2.91 Å) and three longer (2.93 Å) Pu–Pt bond lengths. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pu5Pt3 by Materials Project

Pu5Pt3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are seven inequivalent Pu sites. In the first Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.92–3.24 Å. In the second Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.90–3.24 Å. In the third Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. There are two shorter (3.02 Å) and four longer (3.03 Å) Pu–Pt bond lengths. In the fourth Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.91–3.24 Å. In the fifth Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. All Pu–Pt bond lengths are 3.04 Å. In the sixth Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. There are two shorter (3.02 Å) and four longer (3.03 Å) Pu–Pt bond lengths. In the seventh Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. There are four shorter (3.03 Å) and two longer (3.04 Å) Pu–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms.

36 MATERIALS SCIENCE↗

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↗