DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NdIO9 by Materials Project

Abstract

NdO7IO2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one NdO7I sheet oriented in the (1, 0, 0) direction. In the NdO7I sheet, Nd is bonded in a 6-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.35–3.27 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Nd and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.84 Å. In the fifth O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.86 Å. In the sixth O site,more » O is bonded in a distorted single-bond geometry to one Nd and one O atom. The O–O bond length is 1.23 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. I is bonded in a trigonal bipyramidal geometry to five O atoms.« less

Publication Date:
Other Number(s):
mp-1211462
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; NdIO9; I-Nd-O
OSTI Identifier:
1729074
DOI:
https://doi.org/10.17188/1729074

Citation Formats

The Materials Project. Materials Data on NdIO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729074.
The Materials Project. Materials Data on NdIO9 by Materials Project. United States. doi:https://doi.org/10.17188/1729074
The Materials Project. 2020. "Materials Data on NdIO9 by Materials Project". United States. doi:https://doi.org/10.17188/1729074. https://www.osti.gov/servlets/purl/1729074. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1729074,
title = {Materials Data on NdIO9 by Materials Project},
author = {The Materials Project},
abstractNote = {NdO7IO2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one NdO7I sheet oriented in the (1, 0, 0) direction. In the NdO7I sheet, Nd is bonded in a 6-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.35–3.27 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Nd and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.84 Å. In the fifth O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.86 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to one Nd and one O atom. The O–O bond length is 1.23 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. I is bonded in a trigonal bipyramidal geometry to five O atoms.},
doi = {10.17188/1729074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}