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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BeSiNi2 by Materials Project

BeNi2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Be–Si bond lengths are 2.72 Å. Ni1+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.35 Å. Si4- is bonded in a distorted body-centered cubic geometry to six equivalent Be2+ and eight equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BeSiNi2 by Materials Project

BeNi2Si crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Be2+ is bonded in a distorted linear geometry to two equivalent Si4- atoms. Both Be–Si bond lengths are 2.65 Å. Ni1+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.37 Å. Si4- is bonded in a 10-coordinate geometry to two equivalent Be2+ and eight equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Be4SiNi by Materials Project

Be4NiSi is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be is bonded to six equivalent Be, three equivalent Ni, and three equivalent Si atoms to form a mixture of edge, corner, and face-sharing BeBe6Si3Ni3 cuboctahedra. There are three shorter (2.09 Å) and three longer (2.11 Å) Be–Be bond lengths. All Be–Ni bond lengths are 2.46 Å. All Be–Si bond lengths are 2.46 Å. Ni is bonded in a 12-coordinate geometry to twelve equivalent Be and four equivalent Si atoms. All Ni–Si bond lengths are 2.57 Å. Si is bonded in a 12-coordinate geometry to twelve equivalent Be and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗