Materials Data on Hf3Si2 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1196310· OSTI ID:1196310

The Materials Project

Hf3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Si atoms. There are two shorter (2.73 Å) and four longer (2.80 Å) Hf–Si bond lengths. In the second Hf site, Hf is bonded in a square co-planar geometry to four equivalent Si atoms. All Hf–Si bond lengths are 2.78 Å. Si is bonded in a 9-coordinate geometry to eight Hf and one Si atom. The Si–Si bond length is 2.46 Å.

• 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: 1196310
• Report Number(s): mp-2105
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Hf3Si2
Hf-Si