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Title: 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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaIO4; I-Na-O
OSTI Identifier:
1664056
DOI:
https://doi.org/10.17188/1664056

Citation Formats

The Materials Project. Materials Data on NaIO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664056.
The Materials Project. Materials Data on NaIO4 by Materials Project. United States. doi:https://doi.org/10.17188/1664056
The Materials Project. 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:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1664056,
title = {Materials Data on NaIO4 by Materials Project},
author = {The 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}
}