Materials Data on NaIO4 by Materials Project
Abstract
NaIO4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaIO4 cluster. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Na–O bond distances ranging from 1.95–2.49 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Na–O bond distances ranging from 1.99–2.34 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Na atom. In the second O site, O is bonded in a distorted single-bond geometry to one Na atom. In the third O site, O is bonded in a distorted L-shaped geometry to two Na and one I atom. The O–I bond length is 2.41 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.61 Å. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Na and one I atom. The O–I bond length is 1.62 Å.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-662702
- 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; NaIO4; I-Na-O
- OSTI Identifier:
- 1281432
- DOI:
- https://doi.org/10.17188/1281432
Citation Formats
The Materials Project. Materials Data on NaIO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1281432.
The Materials Project. Materials Data on NaIO4 by Materials Project. United States. doi:https://doi.org/10.17188/1281432
The Materials Project. 2019.
"Materials Data on NaIO4 by Materials Project". United States. doi:https://doi.org/10.17188/1281432. https://www.osti.gov/servlets/purl/1281432. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1281432,
title = {Materials Data on NaIO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaIO4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaIO4 cluster. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Na–O bond distances ranging from 1.95–2.49 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Na–O bond distances ranging from 1.99–2.34 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Na atom. In the second O site, O is bonded in a distorted single-bond geometry to one Na atom. In the third O site, O is bonded in a distorted L-shaped geometry to two Na and one I atom. The O–I bond length is 2.41 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.61 Å. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Na and one I atom. The O–I bond length is 1.62 Å. In the sixth O site, O is bonded in a 2-coordinate geometry to two Na atoms. In the seventh O site, O is bonded in a water-like geometry to one Na and one I atom. The O–I bond length is 1.44 Å. In the eighth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.58 Å. There are two inequivalent I sites. In the first I site, I is bonded in a distorted water-like geometry to two O atoms. In the second I site, I is bonded in a distorted water-like geometry to three O atoms.},
doi = {10.17188/1281432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}