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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NpSi by Materials Project

NpSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Np4+ sites. In the first Np4+ site, Np4+ is bonded to six equivalent Si4- atoms to form distorted edge-sharing NpSi6 pentagonal pyramids. There are two shorter (2.90 Å) and four longer (2.93 Å) Np–Si bond lengths. In the second Np4+ site, Np4+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. There are four shorter (2.95 Å) and four longer (3.07 Å) Np–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to seven Np4+ and two equivalent Si4- atoms. There are one shorter (2.43 Å) and one longer (2.45 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpSi3 by Materials Project

NpSi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of face and corner-sharing NpSi12 cuboctahedra. All Np–Si bond lengths are 2.83 Å. Si+1.33- is bonded in a distorted square co-planar geometry to four equivalent Np4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpSi by Materials Project

NpSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Np4+ is bonded in a 8-coordinate geometry to two equivalent Np4+ and six equivalent Si4- atoms. Both Np–Np bond lengths are 2.57 Å. There are a spread of Np–Si bond distances ranging from 2.89–3.03 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Np4+ and four equivalent Si4- atoms. There are two shorter (2.50 Å) and two longer (2.57 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpSi2 by Materials Project

NpSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Np is bonded to twelve equivalent Si atoms to form a mixture of face and edge-sharing NpSi12 cuboctahedra. There are eight shorter (3.02 Å) and four longer (3.10 Å) Np–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Np and three equivalent Si atoms. There are two shorter (2.31 Å) and one longer (2.34 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗