Materials Data on ZrInNi4 by Materials Project

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

DOI:https://doi.org/10.17188/1279716· OSTI ID:1279716

The Materials Project

ZrNi4In 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 In atoms. All Zr–Ni bond lengths are 2.85 Å. All Zr–In bond lengths are 2.97 Å. Ni is bonded to three equivalent Zr, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiZr3In3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å. All Ni–In bond lengths are 2.85 Å. In is bonded in a 4-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: 1279716
• Report Number(s): mp-637771
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ZrInNi4
In-Ni-Zr