Materials Data on Hf3P by Materials Project

Dataset · Wed Jul 22 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1262071· OSTI ID:1262071

The Materials Project

Hf3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.70 Å) and one longer (2.76 Å) Hf–P bond lengths. In the second Hf site, Hf is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Hf–P bond distances ranging from 2.72–2.80 Å. In the third Hf site, Hf is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Hf–P bond distances ranging from 2.67–2.82 Å. P is bonded in a 9-coordinate geometry to nine Hf 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: 1262071
• Report Number(s): mp-504812
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Hf3P
Hf-P