U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaClO3 by Materials Project
Abstract
NaClO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 3-coordinate geometry to five O and two equivalent Cl atoms. There are a spread of Na–O bond distances ranging from 2.25–3.01 Å. There are one shorter (2.95 Å) and one longer (3.27 Å) Na–Cl bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Na and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.64 Å. Cl is bonded in a 3-coordinate geometry to two equivalent Na and one O atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-630949
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; NaClO3; Cl-Na-O
- OSTI Identifier:
- 1279028
- DOI:
- https://doi.org/10.17188/1279028
Citation Formats
The Materials Project. Materials Data on NaClO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279028.
The Materials Project. Materials Data on NaClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1279028
The Materials Project. 2020.
"Materials Data on NaClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1279028. https://www.osti.gov/servlets/purl/1279028. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1279028,
title = {Materials Data on NaClO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaClO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 3-coordinate geometry to five O and two equivalent Cl atoms. There are a spread of Na–O bond distances ranging from 2.25–3.01 Å. There are one shorter (2.95 Å) and one longer (3.27 Å) Na–Cl bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Na and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.64 Å. Cl is bonded in a 3-coordinate geometry to two equivalent Na and one O atom.},
doi = {10.17188/1279028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}