Materials Data on NbHg3F6 by Materials Project

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

DOI:https://doi.org/10.17188/1202475· OSTI ID:1202475

The Materials Project

(Hg)2NbHgF6 crystallizes in the trigonal P-31m space group. The structure is one-dimensional and consists of two mercury molecules and one NbHgF6 ribbon oriented in the (0, 0, 1) direction. In the NbHgF6 ribbon, Nb2+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share faces with two equivalent HgF6 cuboctahedra. All Nb–F bond lengths are 1.94 Å. Hg+1.33+ is bonded to six equivalent F1- atoms to form distorted HgF6 cuboctahedra that share faces with two equivalent NbF6 octahedra. All Hg–F bond lengths are 3.11 Å. F1- is bonded in a single-bond geometry to one Nb2+ and one Hg+1.33+ 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: 1202475
• Report Number(s): mp-28357
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NbHg3F6
F-Hg-Nb