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Title: Materials Data on KPO3 by Materials Project

Abstract

KPO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.79–2.95 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom.

Publication Date:
Other Number(s):
mp-13981
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; KPO3; K-O-P
OSTI Identifier:
1189856
DOI:
10.17188/1189856

Citation Formats

The Materials Project. Materials Data on KPO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189856.
The Materials Project. Materials Data on KPO3 by Materials Project. United States. doi:10.17188/1189856.
The Materials Project. 2020. "Materials Data on KPO3 by Materials Project". United States. doi:10.17188/1189856. https://www.osti.gov/servlets/purl/1189856. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1189856,
title = {Materials Data on KPO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KPO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.79–2.95 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom.},
doi = {10.17188/1189856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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