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Materials Data on HfZn2 by Materials Project

HfZn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Zn atoms. All Hf–Hf bond lengths are 3.19 Å. All Hf–Zn bond lengths are 3.05 Å. Zn is bonded to six equivalent Hf and six equivalent Zn atoms to form a mixture of edge, face, and corner-sharing ZnHf6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.60 Å.

36 MATERIALS SCIENCE↗

Materials Data on HfZn3 by Materials Project

HfZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to twelve Zn atoms to form a mixture of corner and face-sharing HfZn12 cuboctahedra. There are six shorter (2.81 Å) and six longer (2.92 Å) Hf–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Hf and eight equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.73–3.04 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Hf and eight equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.73–3.04 Å.

36 MATERIALS SCIENCE↗

Materials Data on HfZn by Materials Project

HfZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Hf–Zn bond lengths are 2.86 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗