Materials Data on Hg by Materials Project

Dataset · Thu Apr 30 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1310212· OSTI ID:1310212

The Materials Project

Hg is alpha structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two mercury molecules and one Hg framework. In the Hg framework, there are three inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Hg atoms. All Hg–Hg bond lengths are 3.39 Å. In the second Hg site, Hg is bonded in a 1-coordinate geometry to four Hg atoms. There are one shorter (3.33 Å) and two longer (3.41 Å) Hg–Hg bond lengths. In the third Hg site, Hg is bonded in a 1-coordinate geometry to six Hg atoms. There are one shorter (3.19 Å) and two longer (3.32 Å) Hg–Hg bond lengths.

• 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: 1310212
• Report Number(s): mp-864900
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Hg