DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on K3PO4 by Materials Project

Abstract

K3PO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.15 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.60–2.93 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-557753
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K3PO4; K-O-P
OSTI Identifier:
1269991
DOI:
https://doi.org/10.17188/1269991

Citation Formats

The Materials Project. Materials Data on K3PO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269991.
The Materials Project. Materials Data on K3PO4 by Materials Project. United States. doi:https://doi.org/10.17188/1269991
The Materials Project. 2020. "Materials Data on K3PO4 by Materials Project". United States. doi:https://doi.org/10.17188/1269991. https://www.osti.gov/servlets/purl/1269991. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1269991,
title = {Materials Data on K3PO4 by Materials Project},
author = {The Materials Project},
abstractNote = {K3PO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.15 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.60–2.93 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom.},
doi = {10.17188/1269991},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}