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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrCuSi by Materials Project

PrCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Si4- atoms to form a mixture of edge, face, and corner-sharing PrSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Pr–Si bond lengths are 3.16 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.44 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCuSi by Materials Project

PrCuSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing PrSi6 pentagonal pyramids. All Pr–Si bond lengths are 3.18 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗