Materials Data on Zr3Ir by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205107· OSTI ID:1205107

The Materials Project

Zr3Ir crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a water-like geometry to two equivalent Ir atoms. Both Zr–Ir bond lengths are 2.80 Å. In the second Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Ir atoms. Both Zr–Ir bond lengths are 2.80 Å. In the third Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Ir atoms. There are two shorter (2.75 Å) and two longer (2.94 Å) Zr–Ir bond lengths. Ir is bonded in a 8-coordinate geometry to eight Zr 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: 1205107
• Report Number(s): mp-30748
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Zr3Ir
Ir-Zr