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Title: Materials Data on KTeHOF4 by Materials Project

Abstract

KHTeOF4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to one O2- and seven F1- atoms. The K–O bond length is 2.79 Å. There are a spread of K–F bond distances ranging from 2.62–3.34 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Te4+ is bonded in a square pyramidal geometry to one O2- and four F1- atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 2.02–2.10 Å. O2- is bonded in a 1-coordinate geometry to one K1+, one H1+, and one Te4+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one K1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Te4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555202
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; KTeHOF4; F-H-K-O-Te
OSTI Identifier:
1268685
DOI:
10.17188/1268685

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KTeHOF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268685.
Persson, Kristin, & Project, Materials. Materials Data on KTeHOF4 by Materials Project. United States. doi:10.17188/1268685.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KTeHOF4 by Materials Project". United States. doi:10.17188/1268685. https://www.osti.gov/servlets/purl/1268685. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268685,
title = {Materials Data on KTeHOF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KHTeOF4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to one O2- and seven F1- atoms. The K–O bond length is 2.79 Å. There are a spread of K–F bond distances ranging from 2.62–3.34 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Te4+ is bonded in a square pyramidal geometry to one O2- and four F1- atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 2.02–2.10 Å. O2- is bonded in a 1-coordinate geometry to one K1+, one H1+, and one Te4+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one K1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Te4+ atom.},
doi = {10.17188/1268685},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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