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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiZnCu2 by Materials Project

LiCu2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent Zn atoms. All Li–Cu bond lengths are 2.55 Å. All Li–Zn bond lengths are 2.94 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Zn atoms. All Cu–Zn bond lengths are 2.55 Å. Zn is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2ZnCu by Materials Project

Li2CuZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2CuZn ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to one Cu and one Zn atom. The Li–Cu bond length is 2.46 Å. The Li–Zn bond length is 2.76 Å. Cu is bonded in a linear geometry to two equivalent Li atoms. Zn is bonded in a linear geometry to two equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiZn2Cu by Materials Project

LiCuZn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiCuZn2 ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Zn atoms. Both Li–Zn bond lengths are 2.62 Å. Cu is bonded in a linear geometry to two equivalent Zn atoms. Both Cu–Zn bond lengths are 2.44 Å. Zn is bonded in a linear geometry to one Li and one Cu atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2ZnCu3 by Materials Project

Li2Cu3Zn is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a 12-coordinate geometry to nine equivalent Cu and three equivalent Zn atoms. There are six shorter (2.90 Å) and three longer (2.92 Å) Li–Cu bond lengths. All Li–Zn bond lengths are 2.90 Å. Cu is bonded to six equivalent Li, four equivalent Cu, and two equivalent Zn atoms to form CuLi6Zn2Cu4 cuboctahedra that share corners with four equivalent ZnLi6Cu6 cuboctahedra, corners with fourteen equivalent CuLi6Zn2Cu4 cuboctahedra, edges with six equivalent CuLi6Zn2Cu4 cuboctahedra, faces with six equivalent ZnLi6Cu6 cuboctahedra, and faces with twelve equivalent CuLi6Zn2Cu4 cuboctahedra. All Cu–Cu bond lengths are 2.47 Å. Both Cu–Zn bond lengths are 2.49 Å. Zn is bonded to six equivalent Li and six equivalent Cu atoms to form ZnLi6Cu6 cuboctahedra that share corners with six equivalent ZnLi6Cu6 cuboctahedra, corners with twelve equivalent CuLi6Zn2Cu4 cuboctahedra, edges with six equivalent ZnLi6Cu6 cuboctahedra, and faces with eighteen equivalent CuLi6Zn2Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiZnCu2 by Materials Project

LiCu2Zn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiCu2Zn ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Cu atoms. Both Li–Cu bond lengths are 2.55 Å. Cu is bonded in a linear geometry to one Li and one Zn atom. The Cu–Zn bond length is 2.37 Å. Zn is bonded in a linear geometry to two equivalent Cu atoms.

36 MATERIALS SCIENCE↗