Materials Data on Zr6FeSb2 by Materials Project

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

DOI:https://doi.org/10.17188/1189295· OSTI ID:1189295

The Materials Project

Zr6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Zr–Fe bond length is 3.14 Å. All Zr–Sb bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Zr–Fe bond lengths are 2.61 Å. Both Zr–Sb bond lengths are 3.05 Å. Fe is bonded in a 6-coordinate geometry to nine Zr atoms. Sb is bonded in a 9-coordinate geometry to nine 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: 1189295
• Report Number(s): mp-12962
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Zr6FeSb2
Fe-Sb-Zr