U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KSeO4 by Materials Project
Abstract
KSeO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.29 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.18 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.65–1.72 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two K and one Se atom. In the second O site, O is bonded in a 1-coordinate geometry to three K and one Se atom. In the third O site, O is bonded in a distorted single-bond geometry to two K and one Se atom.more »
- Publication Date:
- Other Number(s):
- mp-1202593
- 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; K-O-Se; KSeO4; crystal structure
- OSTI Identifier:
- 1748371
- DOI:
- https://doi.org/10.17188/1748371
Citation Formats
Materials Data on KSeO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748371.
Materials Data on KSeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1748371
2020.
"Materials Data on KSeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1748371. https://www.osti.gov/servlets/purl/1748371. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1748371,
title = {Materials Data on KSeO4 by Materials Project},
abstractNote = {KSeO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.29 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.18 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.65–1.72 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two K and one Se atom. In the second O site, O is bonded in a 1-coordinate geometry to three K and one Se atom. In the third O site, O is bonded in a distorted single-bond geometry to two K and one Se atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two K and one Se atom. In the fifth O site, O is bonded in a 1-coordinate geometry to three K and one Se atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two K and one Se atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to two K and one Se atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two K and one Se atom.},
doi = {10.17188/1748371},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}