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Title: Materials Data on NaTeF5 by Materials Project

Abstract

NaTeF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to seven F1- atoms to form distorted NaF7 pentagonal bipyramids that share corners with five equivalent TeF5 square pyramids, edges with two equivalent NaF7 pentagonal bipyramids, and an edgeedge with one TeF5 square pyramid. There are a spread of Na–F bond distances ranging from 2.30–2.68 Å. Te4+ is bonded to five F1- atoms to form TeF5 square pyramids that share corners with five equivalent NaF7 pentagonal bipyramids and an edgeedge with one NaF7 pentagonal bipyramid. There are a spread of Te–F bond distances ranging from 1.92–2.03 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Na1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Te4+ atom.

Publication Date:
Other Number(s):
mp-29355
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; NaTeF5; F-Na-Te
OSTI Identifier:
1203705
DOI:
https://doi.org/10.17188/1203705

Citation Formats

The Materials Project. Materials Data on NaTeF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203705.
The Materials Project. Materials Data on NaTeF5 by Materials Project. United States. doi:https://doi.org/10.17188/1203705
The Materials Project. 2020. "Materials Data on NaTeF5 by Materials Project". United States. doi:https://doi.org/10.17188/1203705. https://www.osti.gov/servlets/purl/1203705. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1203705,
title = {Materials Data on NaTeF5 by Materials Project},
author = {The Materials Project},
abstractNote = {NaTeF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to seven F1- atoms to form distorted NaF7 pentagonal bipyramids that share corners with five equivalent TeF5 square pyramids, edges with two equivalent NaF7 pentagonal bipyramids, and an edgeedge with one TeF5 square pyramid. There are a spread of Na–F bond distances ranging from 2.30–2.68 Å. Te4+ is bonded to five F1- atoms to form TeF5 square pyramids that share corners with five equivalent NaF7 pentagonal bipyramids and an edgeedge with one NaF7 pentagonal bipyramid. There are a spread of Te–F bond distances ranging from 1.92–2.03 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Na1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Te4+ atom.},
doi = {10.17188/1203705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}