Materials Data on NaIO3 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1267130· OSTI ID:1267130

The Materials Project

NaIO3 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–3.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Na1+ and two equivalent I5+ atoms. Both O–I bond lengths are 1.98 Å. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Na1+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Na1+ atoms. I5+ is bonded in a linear geometry to two equivalent O2- 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: 1267130
• Report Number(s): mp-545825
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NaIO3
I-Na-O