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Title: Materials Data on KP(HO2)2 by Materials Project

Abstract

KH2PO4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.88–3.03 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.60 Å) P–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.48 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent K1+, one P5+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one P5+, and one H1+ atom.

Publication Date:
Other Number(s):
mp-23959
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KP(HO2)2; H-K-O-P
OSTI Identifier:
1199832
DOI:
https://doi.org/10.17188/1199832

Citation Formats

The Materials Project. Materials Data on KP(HO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199832.
The Materials Project. Materials Data on KP(HO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199832
The Materials Project. 2020. "Materials Data on KP(HO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199832. https://www.osti.gov/servlets/purl/1199832. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199832,
title = {Materials Data on KP(HO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KH2PO4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.88–3.03 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.60 Å) P–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.48 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent K1+, one P5+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one P5+, and one H1+ atom.},
doi = {10.17188/1199832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}