U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaIO4 by Materials Project
Abstract
NaIO4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one NaIO4 sheet oriented in the (0, 0, 1) direction. Na is bonded to seven O atoms to form distorted edge-sharing NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.31–2.76 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Na and one I atom to form a mixture of distorted edge and corner-sharing ONa3I trigonal pyramids. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fourth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. I is bonded in a distorted trigonal non-coplanar geometry to three O atoms.
- Publication Date:
- Other Number(s):
- mp-1103574
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; I-Na-O; NaIO4
- OSTI Identifier:
- 1664056
- DOI:
- https://doi.org/10.17188/1664056
Citation Formats
Materials Data on NaIO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1664056.
Materials Data on NaIO4 by Materials Project. United States. doi:https://doi.org/10.17188/1664056
2020.
"Materials Data on NaIO4 by Materials Project". United States. doi:https://doi.org/10.17188/1664056. https://www.osti.gov/servlets/purl/1664056. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1664056,
title = {Materials Data on NaIO4 by Materials Project},
abstractNote = {NaIO4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one NaIO4 sheet oriented in the (0, 0, 1) direction. Na is bonded to seven O atoms to form distorted edge-sharing NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.31–2.76 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Na and one I atom to form a mixture of distorted edge and corner-sharing ONa3I trigonal pyramids. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fourth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. I is bonded in a distorted trigonal non-coplanar geometry to three O atoms.},
doi = {10.17188/1664056},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}