Materials Data on ZrSiSe by Materials Project

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

DOI:https://doi.org/10.17188/1208298· OSTI ID:1208298

The Materials Project

ZrSiSe crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Si and five equivalent Se atoms. All Zr–Si bond lengths are 2.82 Å. There are four shorter (2.77 Å) and one longer (3.28 Å) Zr–Se bond lengths. Si is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Si atoms. All Si–Si bond lengths are 2.56 Å. Se is bonded in a 5-coordinate geometry to five 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: 1208298
• Report Number(s): mp-4628
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ZrSiSe
Se-Si-Zr