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Title: Materials Data on Ni(IO3)2 by Materials Project

Abstract

Ni(IO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ni2+ is bonded to five O2- atoms to form edge-sharing NiO5 square pyramids. There are a spread of Ni–O bond distances ranging from 2.02–2.07 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one I5+ atom. The O–I bond length is 1.89 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.84 Å. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ni2+ and one I5+ atom. The O–I bond length is 1.81 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.82 Å. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ni2+ and one I5+ atom. The O–I bond length is 1.85 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ni2+ and one I5+ atom. The O–I bond lengthmore » is 1.86 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms. In the second I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms.« less

Publication Date:
Other Number(s):
mp-780326
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; Ni(IO3)2; I-Ni-O
OSTI Identifier:
1306975
DOI:
https://doi.org/10.17188/1306975

Citation Formats

The Materials Project. Materials Data on Ni(IO3)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1306975.
The Materials Project. Materials Data on Ni(IO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1306975
The Materials Project. 2017. "Materials Data on Ni(IO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1306975. https://www.osti.gov/servlets/purl/1306975. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1306975,
title = {Materials Data on Ni(IO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(IO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ni2+ is bonded to five O2- atoms to form edge-sharing NiO5 square pyramids. There are a spread of Ni–O bond distances ranging from 2.02–2.07 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one I5+ atom. The O–I bond length is 1.89 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.84 Å. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ni2+ and one I5+ atom. The O–I bond length is 1.81 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.82 Å. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ni2+ and one I5+ atom. The O–I bond length is 1.85 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ni2+ and one I5+ atom. The O–I bond length is 1.86 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms. In the second I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},
doi = {10.17188/1306975},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}