Materials Data on NaHg2IO2 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1199243· OSTI ID:1199243

The Materials Project

NaHg2O2I crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- and four equivalent I1- atoms. All Na–O bond lengths are 2.45 Å. All Na–I bond lengths are 3.81 Å. Hg2+ is bonded in a linear geometry to two equivalent O2- and three equivalent I1- atoms. Both Hg–O bond lengths are 2.08 Å. There are two shorter (3.39 Å) and one longer (3.42 Å) Hg–I bond lengths. O2- is bonded to two equivalent Na1+ and two equivalent Hg2+ atoms to form a mixture of edge and corner-sharing ONa2Hg2 tetrahedra. I1- is bonded in a 6-coordinate geometry to four equivalent Na1+ and six 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: 1199243
• Report Number(s): mp-23110
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NaHg2IO2
Hg-I-Na-O