Materials Data on ZrAsIr by Materials Project

Dataset · Sun May 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1738332· OSTI ID:1738332

The Materials Project

ZrIrAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to six equivalent Ir and four equivalent As atoms. All Zr–Ir bond lengths are 3.06 Å. All Zr–As bond lengths are 2.65 Å. Ir is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent As atoms. All Ir–As bond lengths are 2.65 Å. As is bonded in a distorted body-centered cubic geometry to four equivalent Zr and four equivalent Ir 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: 1738332
• Report Number(s): mp-1093990
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ZrAsIr
As-Ir-Zr