Materials Data on K2HfF6 by Materials Project

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

DOI:https://doi.org/10.17188/1308090· OSTI ID:1308090

The Materials Project

K2HfF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.64 Å) and six longer (2.83 Å) K–F bond lengths. Hf4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.07 Å) and six longer (2.25 Å) Hf–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing FK2Hf2 tetrahedra. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Hf4+ atom.

• 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: 1308090
• Report Number(s): mp-8415
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
K2HfF6
F-Hf-K