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Title: Materials Data on KTeOF3 by Materials Project

Abstract

KTeOF3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded to two equivalent O2- and four F1- atoms to form distorted corner-sharing KO2F4 pentagonal pyramids. There are one shorter (2.78 Å) and one longer (2.86 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.70–2.80 Å. Te4+ is bonded in a see-saw-like geometry to one O2- and three F1- atoms. The Te–O bond length is 1.81 Å. There are a spread of Te–F bond distances ranging from 1.96–2.05 Å. O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Te4+ atom.

Publication Date:
Other Number(s):
mp-612946
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; KTeOF3; F-K-O-Te
OSTI Identifier:
1277732
DOI:
https://doi.org/10.17188/1277732

Citation Formats

The Materials Project. Materials Data on KTeOF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277732.
The Materials Project. Materials Data on KTeOF3 by Materials Project. United States. doi:https://doi.org/10.17188/1277732
The Materials Project. 2020. "Materials Data on KTeOF3 by Materials Project". United States. doi:https://doi.org/10.17188/1277732. https://www.osti.gov/servlets/purl/1277732. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1277732,
title = {Materials Data on KTeOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {KTeOF3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded to two equivalent O2- and four F1- atoms to form distorted corner-sharing KO2F4 pentagonal pyramids. There are one shorter (2.78 Å) and one longer (2.86 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.70–2.80 Å. Te4+ is bonded in a see-saw-like geometry to one O2- and three F1- atoms. The Te–O bond length is 1.81 Å. There are a spread of Te–F bond distances ranging from 1.96–2.05 Å. O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Te4+ atom.},
doi = {10.17188/1277732},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}