Materials Data on ZrZnNi4 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1188039· OSTI ID:1188039

The Materials Project

ZrNi4Zn is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Zn atoms. All Zr–Ni bond lengths are 2.81 Å. All Zr–Zn bond lengths are 2.94 Å. Ni is bonded to three equivalent Zr, six equivalent Ni, and three equivalent Zn atoms to form a mixture of face, edge, and corner-sharing NiZr3Zn3Ni6 cuboctahedra. There are three shorter (2.38 Å) and three longer (2.41 Å) Ni–Ni bond lengths. All Ni–Zn bond lengths are 2.81 Å. Zn is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Ni atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1188039
• Report Number(s): mp-11533
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ZrZnNi4
Ni-Zn-Zr