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Title: Materials Data on YbIO9 by Materials Project

Abstract

YbO9I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.35–2.74 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Yb and one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.28 Å. The O–I bond length is 2.23 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb and one I atom. The O–I bond length is 1.90 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Yb and one O atom. The O–O bond length is 1.29 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.30 Å. In the sixth O site, O is bonded in a water-like geometry to one Yb and one Imore » atom. The O–I bond length is 1.85 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Yb and one O atom. In the eighth O site, O is bonded in a water-like geometry to one Yb and one O atom. In the ninth O site, O is bonded in a water-like geometry to one Yb and one I atom. The O–I bond length is 1.85 Å. I is bonded in a square pyramidal geometry to five O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1202602
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; YbIO9; I-O-Yb
OSTI Identifier:
1751778
DOI:
https://doi.org/10.17188/1751778

Citation Formats

The Materials Project. Materials Data on YbIO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751778.
The Materials Project. Materials Data on YbIO9 by Materials Project. United States. doi:https://doi.org/10.17188/1751778
The Materials Project. 2020. "Materials Data on YbIO9 by Materials Project". United States. doi:https://doi.org/10.17188/1751778. https://www.osti.gov/servlets/purl/1751778. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1751778,
title = {Materials Data on YbIO9 by Materials Project},
author = {The Materials Project},
abstractNote = {YbO9I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.35–2.74 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Yb and one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.28 Å. The O–I bond length is 2.23 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb and one I atom. The O–I bond length is 1.90 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Yb and one O atom. The O–O bond length is 1.29 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.30 Å. In the sixth O site, O is bonded in a water-like geometry to one Yb and one I atom. The O–I bond length is 1.85 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Yb and one O atom. In the eighth O site, O is bonded in a water-like geometry to one Yb and one O atom. In the ninth O site, O is bonded in a water-like geometry to one Yb and one I atom. The O–I bond length is 1.85 Å. I is bonded in a square pyramidal geometry to five O atoms.},
doi = {10.17188/1751778},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}