U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KSrPO4 by Materials Project
Abstract
KSrPO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.14 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.06 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, three equivalent Sr2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+, two equivalent Sr2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+, two equivalent Sr2+, and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-17975
- 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-P-Sr; KSrPO4; crystal structure
- OSTI Identifier:
- 1192809
- DOI:
- https://doi.org/10.17188/1192809
Citation Formats
Materials Data on KSrPO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192809.
Materials Data on KSrPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1192809
2020.
"Materials Data on KSrPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1192809. https://www.osti.gov/servlets/purl/1192809. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1192809,
title = {Materials Data on KSrPO4 by Materials Project},
abstractNote = {KSrPO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.14 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.06 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, three equivalent Sr2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+, two equivalent Sr2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+, two equivalent Sr2+, and one P5+ atom.},
doi = {10.17188/1192809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}