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

Title: Materials Data on KNaTe(HO)6 by Materials Project

Abstract

KNaTe(HO)6 crystallizes in the trigonal P31c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three equivalent H1+ and six O2- atoms. All K–H bond lengths are 2.86 Å. There are three shorter (2.91 Å) and three longer (3.14 Å) K–O bond lengths. Na1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.43 Å) and three longer (2.57 Å) Na–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Te–O bond lengths are 1.89 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Na1+, and two H1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1192905
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; KNaTe(HO)6; H-K-Na-O-Te
OSTI Identifier:
1693261
DOI:
https://doi.org/10.17188/1693261

Citation Formats

The Materials Project. Materials Data on KNaTe(HO)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1693261.
The Materials Project. Materials Data on KNaTe(HO)6 by Materials Project. United States. doi:https://doi.org/10.17188/1693261
The Materials Project. 2020. "Materials Data on KNaTe(HO)6 by Materials Project". United States. doi:https://doi.org/10.17188/1693261. https://www.osti.gov/servlets/purl/1693261. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1693261,
title = {Materials Data on KNaTe(HO)6 by Materials Project},
author = {The Materials Project},
abstractNote = {KNaTe(HO)6 crystallizes in the trigonal P31c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three equivalent H1+ and six O2- atoms. All K–H bond lengths are 2.86 Å. There are three shorter (2.91 Å) and three longer (3.14 Å) K–O bond lengths. Na1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.43 Å) and three longer (2.57 Å) Na–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Te–O bond lengths are 1.89 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Na1+, and two H1+ atoms.},
doi = {10.17188/1693261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}