Materials Data on YbI3O11 by Materials Project
Abstract
YbO11I3 crystallizes in the triclinic P-1 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 2.32–2.54 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Yb and two equivalent I atoms. There are one shorter (1.91 Å) and one longer (2.60 Å) O–I bond lengths. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.80 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.87 Å. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Yb and one I atom. The O–I bond length is 1.83 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Yb and one I atom. The O–I bond length is 1.81 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192937
- 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; YbI3O11; I-O-Yb
- OSTI Identifier:
- 1688828
- DOI:
- https://doi.org/10.17188/1688828
Citation Formats
The Materials Project. Materials Data on YbI3O11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688828.
The Materials Project. Materials Data on YbI3O11 by Materials Project. United States. doi:https://doi.org/10.17188/1688828
The Materials Project. 2020.
"Materials Data on YbI3O11 by Materials Project". United States. doi:https://doi.org/10.17188/1688828. https://www.osti.gov/servlets/purl/1688828. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1688828,
title = {Materials Data on YbI3O11 by Materials Project},
author = {The Materials Project},
abstractNote = {YbO11I3 crystallizes in the triclinic P-1 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 2.32–2.54 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Yb and two equivalent I atoms. There are one shorter (1.91 Å) and one longer (2.60 Å) O–I bond lengths. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.80 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.87 Å. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Yb and one I atom. The O–I bond length is 1.83 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Yb and one I atom. The O–I bond length is 1.81 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.87 Å) and one longer (2.39 Å) O–I bond lengths. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Yb 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 120 degrees geometry to one Yb and one I atom. The O–I bond length is 1.84 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Yb and one I atom. The O–I bond length is 1.83 Å. In the tenth O site, O is bonded in a distorted water-like geometry to one Yb and one I atom. The O–I bond length is 2.64 Å. In the eleventh O site, O is bonded in a single-bond geometry to one Yb atom. There are three inequivalent I sites. In the first I site, I is bonded in a 6-coordinate geometry to six O atoms. In the second I site, I is bonded in a 3-coordinate geometry to three O atoms. In the third I site, I is bonded in a 3-coordinate geometry to three O atoms.},
doi = {10.17188/1688828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}