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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiZnP by Materials Project

LiZnP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with four equivalent ZnP4 tetrahedra, corners with twelve equivalent LiP4 tetrahedra, and edges with six equivalent ZnP4 tetrahedra. All Li–P bond lengths are 2.49 Å. Zn2+ is bonded to four equivalent P3- atoms to form ZnP4 tetrahedra that share corners with four equivalent LiP4 tetrahedra, corners with twelve equivalent ZnP4 tetrahedra, and edges with six equivalent LiP4 tetrahedra. All Zn–P bond lengths are 2.49 Å. P3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiZnP by Materials Project

LiZnP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to four equivalent Zn2+ and four equivalent P3- atoms. All Li–Zn bond lengths are 2.45 Å. All Li–P bond lengths are 2.45 Å. Zn2+ is bonded in a 4-coordinate geometry to four equivalent Li1+ and six equivalent P3- atoms. All Zn–P bond lengths are 2.83 Å. P3- is bonded to four equivalent Li1+ and six equivalent Zn2+ atoms to form a mixture of distorted corner and face-sharing PLi4Zn6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiZnP by Materials Project

LiZnP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded in a 10-coordinate geometry to four equivalent Zn2+ and six equivalent P3- atoms. All Li–Zn bond lengths are 2.48 Å. All Li–P bond lengths are 2.87 Å. Zn2+ is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent P3- atoms. All Zn–P bond lengths are 2.48 Å. P3- is bonded in a 10-coordinate geometry to six equivalent Li1+ and four equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗