Materials Data on Zr2Sb by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205618· OSTI ID:1205618

The Materials Project

Zr2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Zr and four equivalent Sb atoms. All Zr–Zr bond lengths are 2.93 Å. All Zr–Sb bond lengths are 3.03 Å. In the second Zr site, Zr is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing ZrSb5 square pyramids. There are one shorter (2.94 Å) and four longer (2.99 Å) Zr–Sb bond lengths. 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: 1205618
• Report Number(s): mp-31379
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Zr2Sb
Sb-Zr