Materials Data on HgI2 by Materials Project

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

DOI:https://doi.org/10.17188/1199293· OSTI ID:1199293

The Materials Project

HgI2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to six I1- atoms to form distorted edge-sharing HgI6 octahedra. There are a spread of Hg–I bond distances ranging from 2.65–3.77 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ 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: 1199293
• Report Number(s): mp-23173
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
HgI2
Hg-I