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Title: Materials Data on DyIO9 by Materials Project

Abstract

DyO9I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Dy–O bond distances ranging from 2.20–2.78 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one O and one I atom. The O–O bond length is 1.25 Å. The O–I bond length is 2.78 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one Dy, one O, and one I atom. The O–O bond length is 1.31 Å. The O–I bond length is 2.58 Å. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Dy and one I atom. The O–I bond length is 2.20 Å. In the fourth O site, O is bonded in a water-like geometry to one O and one I atom. The O–O bond length is 1.26 Å. The O–I bond length is 2.46 Å. In the fifth O site, O is bonded in a water-like geometry to one Dy and one I atom. The O–I bond length is 1.91 Å.more » In the sixth O site, O is bonded in a bent 120 degrees geometry to one Dy and one O atom. In the seventh O site, O is bonded in an L-shaped geometry to one Dy and one I atom. The O–I bond length is 1.84 Å. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Dy and one O atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom. I is bonded in a 6-coordinate geometry to six O atoms.« less

Publication Date:
Other Number(s):
mp-1213548
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; DyIO9; Dy-I-O
OSTI Identifier:
1685918
DOI:
https://doi.org/10.17188/1685918

Citation Formats

The Materials Project. Materials Data on DyIO9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685918.
The Materials Project. Materials Data on DyIO9 by Materials Project. United States. doi:https://doi.org/10.17188/1685918
The Materials Project. 2019. "Materials Data on DyIO9 by Materials Project". United States. doi:https://doi.org/10.17188/1685918. https://www.osti.gov/servlets/purl/1685918. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685918,
title = {Materials Data on DyIO9 by Materials Project},
author = {The Materials Project},
abstractNote = {DyO9I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Dy–O bond distances ranging from 2.20–2.78 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one O and one I atom. The O–O bond length is 1.25 Å. The O–I bond length is 2.78 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one Dy, one O, and one I atom. The O–O bond length is 1.31 Å. The O–I bond length is 2.58 Å. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Dy and one I atom. The O–I bond length is 2.20 Å. In the fourth O site, O is bonded in a water-like geometry to one O and one I atom. The O–O bond length is 1.26 Å. The O–I bond length is 2.46 Å. In the fifth O site, O is bonded in a water-like geometry to one Dy and one I atom. The O–I bond length is 1.91 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Dy and one O atom. In the seventh O site, O is bonded in an L-shaped geometry to one Dy and one I atom. The O–I bond length is 1.84 Å. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Dy and one O atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom. I is bonded in a 6-coordinate geometry to six O atoms.},
doi = {10.17188/1685918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}