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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdCuSi by Materials Project

NdCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Si4- atoms to form a mixture of edge, corner, and face-sharing NdSi6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Nd–Si bond lengths are 3.14 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.43 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Nd3+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCuSi by Materials Project

NdCuSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing NdSi6 pentagonal pyramids. All Nd–Si bond lengths are 3.15 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.38 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Nd3+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗