Materials Data on Zr4CuP by Materials Project

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

DOI:https://doi.org/10.17188/1276882· OSTI ID:1276882

The Materials Project

Zr4CuP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to two equivalent Cu and two equivalent P atoms. Both Zr–Cu bond lengths are 2.83 Å. Both Zr–P bond lengths are 2.77 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.71 Å. P is bonded in a 10-coordinate geometry to eight equivalent 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: 1276882
• Report Number(s): mp-581733
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Zr4CuP
Cu-P-Zr