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DOE OSTI2020

Materials Data on LaCuSi by Materials Project

LaCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La3+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing LaSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All La–Si bond lengths are 3.20 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.46 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent La3+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaCuSi by Materials Project

LaCuSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, corner, and face-sharing LaSi6 pentagonal pyramids. All La–Si bond lengths are 3.21 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.42 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent La3+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗