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Materials Data on PuSi2 by Materials Project

PuSi2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing PuSi12 cuboctahedra. All Pu–Si bond lengths are 3.05 Å. Si is bonded in a 9-coordinate geometry to six equivalent Pu and three equivalent Si atoms. All Si–Si bond lengths are 2.35 Å.

36 MATERIALS SCIENCE↗

Materials Data on PuSi by Materials Project

PuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pu4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Pu–Si bond distances ranging from 2.82–3.08 Å. Si4- is bonded in a 9-coordinate geometry to seven equivalent Pu4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.37 Å.

36 MATERIALS SCIENCE↗

Materials Data on PuSi3 by Materials Project

PuSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of distorted corner and face-sharing PuSi12 cuboctahedra. There are six shorter (2.93 Å) and six longer (2.95 Å) Pu–Si bond lengths. Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Pu4+ and six equivalent Si+1.33- atoms. There are two shorter (2.55 Å) and four longer (2.66 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Pu3Si2 by Materials Project

Pu3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a square co-planar geometry to four equivalent Si atoms. All Pu–Si bond lengths are 2.90 Å. In the second Pu site, Pu is bonded in a 6-coordinate geometry to six equivalent Si atoms. There are two shorter (2.90 Å) and four longer (3.00 Å) Pu–Si bond lengths. Si is bonded in a 9-coordinate geometry to eight Pu and one Si atom. The Si–Si bond length is 2.38 Å.

36 MATERIALS SCIENCE↗