Materials Data on Hg3C by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314119· OSTI ID:1314119

The Materials Project

(Hg)3C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two methane molecules and one Hg framework. In the Hg framework, there are two inequivalent Hg+1.33+ sites. In the first Hg+1.33+ site, Hg+1.33+ is bonded in a 8-coordinate geometry to eight Hg+1.33+ atoms. There are four shorter (3.03 Å) and four longer (3.04 Å) Hg–Hg bond lengths. In the second Hg+1.33+ site, Hg+1.33+ is bonded in a 8-coordinate geometry to eight equivalent Hg+1.33+ 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: 1314119
• Report Number(s): mp-973461
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Hg3C
C-Hg