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Title: Materials Data on NaTeH6O6F by Materials Project

Abstract

NaH6TeO6F crystallizes in the trigonal R3 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are three shorter (2.39 Å) and three longer (2.66 Å) Na–O bond lengths. The Na–F bond length is 2.42 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.51 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.95 Å) and three longer (1.96 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one Te6+ atom. F1- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent H1+ atoms.

Publication Date:
Other Number(s):
mp-633158
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; NaTeH6O6F; F-H-Na-O-Te
OSTI Identifier:
1279364
DOI:
10.17188/1279364

Citation Formats

The Materials Project. Materials Data on NaTeH6O6F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279364.
The Materials Project. Materials Data on NaTeH6O6F by Materials Project. United States. doi:10.17188/1279364.
The Materials Project. 2020. "Materials Data on NaTeH6O6F by Materials Project". United States. doi:10.17188/1279364. https://www.osti.gov/servlets/purl/1279364. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1279364,
title = {Materials Data on NaTeH6O6F by Materials Project},
author = {The Materials Project},
abstractNote = {NaH6TeO6F crystallizes in the trigonal R3 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are three shorter (2.39 Å) and three longer (2.66 Å) Na–O bond lengths. The Na–F bond length is 2.42 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.51 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.95 Å) and three longer (1.96 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one Te6+ atom. F1- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent H1+ atoms.},
doi = {10.17188/1279364},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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