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Materials Data on Zn2CuAu by Materials Project

AuCuZn2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Au is bonded to four equivalent Cu and eight equivalent Zn atoms to form AuZn8Cu4 cuboctahedra that share corners with two equivalent AuZn8Cu4 cuboctahedra, corners with eight equivalent CuZn8Au4 cuboctahedra, edges with six equivalent AuZn8Cu4 cuboctahedra, faces with six equivalent AuZn8Cu4 cuboctahedra, and faces with six equivalent CuZn8Au4 cuboctahedra. There are two shorter (2.78 Å) and two longer (2.83 Å) Au–Cu bond lengths. There are a spread of Au–Zn bond distances ranging from 2.72–2.74 Å. Cu is bonded to four equivalent Au and eight equivalent Zn atoms to form CuZn8Au4 cuboctahedra that share corners with two equivalent CuZn8Au4 cuboctahedra, corners with eight equivalent AuZn8Cu4 cuboctahedra, edges with six equivalent CuZn8Au4 cuboctahedra, faces with six equivalent AuZn8Cu4 cuboctahedra, and faces with six equivalent CuZn8Au4 cuboctahedra. There are a spread of Cu–Zn bond distances ranging from 2.71–2.75 Å. Zn is bonded in a 12-coordinate geometry to four equivalent Au, four equivalent Cu, and four equivalent Zn atoms. There are two shorter (2.78 Å) and two longer (2.82 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Zn2CuAu by Materials Project

AuCuZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to six equivalent Cu and eight equivalent Zn atoms. All Au–Cu bond lengths are 3.09 Å. All Au–Zn bond lengths are 2.68 Å. Cu is bonded in a distorted body-centered cubic geometry to six equivalent Au and eight equivalent Zn atoms. All Cu–Zn bond lengths are 2.68 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZnCuAu2 by Materials Project

Au2CuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Zn atoms. All Au–Cu bond lengths are 2.72 Å. All Au–Zn bond lengths are 2.72 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZnCuAu2 by Materials Project

Au2CuZn is alpha iridium vanadium-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a distorted body-centered cubic geometry to six equivalent Cu and two equivalent Zn atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Au–Cu bond lengths. Both Au–Zn bond lengths are 2.73 Å. In the second Au site, Au is bonded in a distorted body-centered cubic geometry to two equivalent Cu and six equivalent Zn atoms. Both Au–Cu bond lengths are 2.73 Å. There are a spread of Au–Zn bond distances ranging from 2.75–2.80 Å. Cu is bonded in a 8-coordinate geometry to eight Au atoms. Zn is bonded in a distorted body-centered cubic geometry to eight Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZnCu2Au by Materials Project

AuCu2Zn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two AuCu2Zn ribbons oriented in the (1, 0, 0) direction. Au is bonded in a linear geometry to two equivalent Cu atoms. Both Au–Cu bond lengths are 2.44 Å. Cu is bonded in a linear geometry to one Au and one Zn atom. The Cu–Zn bond length is 2.31 Å. Zn is bonded in a linear geometry to two equivalent Cu atoms.

36 MATERIALS SCIENCE↗