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Materials Data on Pu(SiPt)2 by Materials Project

PuPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.20 Å) and four longer (3.28 Å) Pu–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Pu4+ and four equivalent Si atoms to form a mixture of distorted edge and face-sharing PtPu4Si4 tetrahedra. All Pt–Si bond lengths are 2.49 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Pu4+ 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 in a 5-coordinate geometry to five Pt2- atoms. In the second Si site, Si is bonded to four equivalent Pt2- atoms to form a mixture of edge and corner-sharing SiPt4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on Pu2Si5Pt3 by Materials Project

Pu2Pt3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pu3+ is bonded in a 1-coordinate geometry to seven Pt+0.67- and ten Si+0.80- atoms. There are a spread of Pu–Pt bond distances ranging from 3.08–3.44 Å. There are a spread of Pu–Si bond distances ranging from 3.00–3.29 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a 6-coordinate geometry to four equivalent Pu3+ and six Si+0.80- atoms. There are four shorter (2.50 Å) and two longer (2.57 Å) Pt–Si bond lengths. In the second Pt+0.67- site, Pt+0.67- is bonded in a 5-coordinate geometry to five equivalent Pu3+ and five Si+0.80- atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.45 Å. There are three inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 4-coordinate geometry to four equivalent Pu3+ and four equivalent Pt+0.67- atoms. In the second Si+0.80- site, Si+0.80- is bonded in a 3-coordinate geometry to four equivalent Pu3+, three Pt+0.67-, and two equivalent Si+0.80- atoms. Both Si–Si bond lengths are 2.51 Å. In the third Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent Pu3+, three Pt+0.67-, and two equivalent Si+0.80- atoms.

36 MATERIALS SCIENCE↗