U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3IO5 by Materials Project
Abstract
K3O5I crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded to five O atoms to form KO5 square pyramids that share corners with five equivalent IO5 square pyramids. There are one shorter (2.55 Å) and four longer (2.64 Å) K–O bond lengths. In the second K site, K is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.81 Å) and four longer (2.97 Å) K–O bond lengths. In the third K site, K is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of K–O bond distances ranging from 3.17–3.39 Å. There are two inequivalent O sites. In the first O site, O is bonded to five K and one I atom to form a mixture of distorted edge and corner-sharing OK5I octahedra. The corner-sharing octahedral tilt angles are 8°. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 6-coordinate geometry to five K and one I atom. The O–I bond length is 1.87 Å. I is bonded to five O atoms to formmore »
- Publication Date:
- Other Number(s):
- mp-540618
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; I-K-O; K3IO5; crystal structure
- OSTI Identifier:
- 1264480
- DOI:
- https://doi.org/10.17188/1264480
Citation Formats
Materials Data on K3IO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264480.
Materials Data on K3IO5 by Materials Project. United States. doi:https://doi.org/10.17188/1264480
2020.
"Materials Data on K3IO5 by Materials Project". United States. doi:https://doi.org/10.17188/1264480. https://www.osti.gov/servlets/purl/1264480. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1264480,
title = {Materials Data on K3IO5 by Materials Project},
abstractNote = {K3O5I crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded to five O atoms to form KO5 square pyramids that share corners with five equivalent IO5 square pyramids. There are one shorter (2.55 Å) and four longer (2.64 Å) K–O bond lengths. In the second K site, K is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.81 Å) and four longer (2.97 Å) K–O bond lengths. In the third K site, K is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of K–O bond distances ranging from 3.17–3.39 Å. There are two inequivalent O sites. In the first O site, O is bonded to five K and one I atom to form a mixture of distorted edge and corner-sharing OK5I octahedra. The corner-sharing octahedral tilt angles are 8°. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 6-coordinate geometry to five K and one I atom. The O–I bond length is 1.87 Å. I is bonded to five O atoms to form distorted IO5 square pyramids that share corners with five equivalent KO5 square pyramids.},
doi = {10.17188/1264480},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}