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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgNi2P by Materials Project

MgNi2P crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten equivalent Ni and three equivalent P atoms. There are a spread of Mg–Ni bond distances ranging from 2.67–3.09 Å. There are a spread of Mg–P bond distances ranging from 2.61–2.69 Å. Ni is bonded in a 12-coordinate geometry to five equivalent Mg, four equivalent Ni, and three equivalent P atoms. There are a spread of Ni–Ni bond distances ranging from 2.50–2.77 Å. There are a spread of Ni–P bond distances ranging from 2.25–2.31 Å. P is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ni3P by Materials Project

Mg2Ni3P crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg, nine equivalent Ni, and three equivalent P atoms. There are one shorter (2.72 Å) and three longer (3.01 Å) Mg–Mg bond lengths. There are three shorter (2.67 Å) and six longer (2.84 Å) Mg–Ni bond lengths. All Mg–P bond lengths are 2.91 Å. Ni is bonded to six equivalent Mg, four equivalent Ni, and two equivalent P atoms to form distorted NiMg6Ni4P2 cuboctahedra that share corners with four equivalent PMg6Ni6 cuboctahedra, corners with fourteen equivalent NiMg6Ni4P2 cuboctahedra, edges with six equivalent NiMg6Ni4P2 cuboctahedra, faces with six equivalent PMg6Ni6 cuboctahedra, and faces with twelve equivalent NiMg6Ni4P2 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. Both Ni–P bond lengths are 2.31 Å. P is bonded to six equivalent Mg and six equivalent Ni atoms to form distorted PMg6Ni6 cuboctahedra that share corners with six equivalent PMg6Ni6 cuboctahedra, corners with twelve equivalent NiMg6Ni4P2 cuboctahedra, edges with six equivalent PMg6Ni6 cuboctahedra, and faces with eighteen equivalent NiMg6Ni4P2 cuboctahedra.

36 MATERIALS SCIENCE↗