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

Abstract

KP(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two F1- atoms. There are a spread of K–O bond distances ranging from 2.78–3.13 Å. There are one shorter (2.87 Å) and one longer (3.18 Å) K–F bond lengths. P5+ is bonded in a tetrahedral geometry to two equivalent O2- and two F1- atoms. Both P–O bond lengths are 1.49 Å. Both P–F bond lengths are 1.60 Å. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one K1+ and one P5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559062
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(OF)2; F-K-O-P
OSTI Identifier:
1270651
DOI:
10.17188/1270651

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KP(OF)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270651.
Persson, Kristin, & Project, Materials. Materials Data on KP(OF)2 by Materials Project. United States. doi:10.17188/1270651.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KP(OF)2 by Materials Project". United States. doi:10.17188/1270651. https://www.osti.gov/servlets/purl/1270651. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270651,
title = {Materials Data on KP(OF)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KP(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two F1- atoms. There are a spread of K–O bond distances ranging from 2.78–3.13 Å. There are one shorter (2.87 Å) and one longer (3.18 Å) K–F bond lengths. P5+ is bonded in a tetrahedral geometry to two equivalent O2- and two F1- atoms. Both P–O bond lengths are 1.49 Å. Both P–F bond lengths are 1.60 Å. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one K1+ and one P5+ atom.},
doi = {10.17188/1270651},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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