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Title: Materials Data on I2O5 by Materials Project

Abstract

I2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two I5+ atoms. There is one shorter (1.95 Å) and one longer (2.00 Å) O–I bond length. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.79 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.43 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two I5+ atoms. There are one shorter (1.80 Å) and one longer (2.56 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.87 Å) and one longer (2.27 Å) O–I bond lengths. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded to five O2- atoms to form distorted corner-sharing IO5 square pyramids. In the second I5+ site, I5+more » is bonded in a 5-coordinate geometry to four O2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-23261
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; I2O5; I-O
OSTI Identifier:
1199372
DOI:
https://doi.org/10.17188/1199372

Citation Formats

The Materials Project. Materials Data on I2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199372.
The Materials Project. Materials Data on I2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1199372
The Materials Project. 2020. "Materials Data on I2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1199372. https://www.osti.gov/servlets/purl/1199372. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1199372,
title = {Materials Data on I2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {I2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two I5+ atoms. There is one shorter (1.95 Å) and one longer (2.00 Å) O–I bond length. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.79 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.43 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two I5+ atoms. There are one shorter (1.80 Å) and one longer (2.56 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.87 Å) and one longer (2.27 Å) O–I bond lengths. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded to five O2- atoms to form distorted corner-sharing IO5 square pyramids. In the second I5+ site, I5+ is bonded in a 5-coordinate geometry to four O2- atoms.},
doi = {10.17188/1199372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}