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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrCuSi by Materials Project

SrCuSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing SrSi6 pentagonal pyramids. All Sr–Si bond lengths are 3.34 Å. Cu2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.39 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Sr2+ and three equivalent Cu2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrCuSi by Materials Project

SrCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing SrSi6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Sr–Si bond lengths are 3.32 Å. Cu2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.36 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Sr2+ and three equivalent Cu2+ atoms.

36 MATERIALS SCIENCE↗