U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KP2(HO2)4 by Materials Project
Abstract
KP2(HO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 5-coordinate geometry to five O atoms. There are a spread of K–O bond distances ranging from 2.80–2.93 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are four inequivalent H sites. In the first H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. In the second H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.06 Å) and one longer (1.45 Å) H–O bond length. In the third H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.04 Å) and one longer (1.45 Å) H–O bond length. In the fourth H site, Hmore »
- Publication Date:
- Other Number(s):
- mp-1211785
- 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; crystal structure; H-K-O-P; KP2(HO2)4
- OSTI Identifier:
- 1719615
- DOI:
- https://doi.org/10.17188/1719615
Citation Formats
Materials Data on KP2(HO2)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719615.
Materials Data on KP2(HO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1719615
2020.
"Materials Data on KP2(HO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1719615. https://www.osti.gov/servlets/purl/1719615. Pub date:Tue Apr 28 20:00:00 EDT 2020
@article{osti_1719615,
title = {Materials Data on KP2(HO2)4 by Materials Project},
abstractNote = {KP2(HO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 5-coordinate geometry to five O atoms. There are a spread of K–O bond distances ranging from 2.80–2.93 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are four inequivalent H sites. In the first H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. In the second H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.06 Å) and one longer (1.45 Å) H–O bond length. In the third H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.04 Å) and one longer (1.45 Å) H–O bond length. In the fourth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.70 Å) H–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one P and two H atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one K, one P, and one H atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one K, one P, and one H atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one K, one P, and one H atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one K and one P atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one K, one P, and one H atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one P and one H atom.},
doi = {10.17188/1719615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}