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Title: Materials Data on RbTeF5 by Materials Project

Abstract

RbTeF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.94–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Rb–F bond distances ranging from 2.96–3.29 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.92–2.03 Å. In the second Te4+ site, Te4+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.94–2.02 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Rb1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalentmore » Rb1+ and one Te4+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two Rb1+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Te4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to two equivalent Rb1+ and one Te4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556785
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; RbTeF5; F-Rb-Te
OSTI Identifier:
1269537
DOI:
10.17188/1269537

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbTeF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269537.
Persson, Kristin, & Project, Materials. Materials Data on RbTeF5 by Materials Project. United States. doi:10.17188/1269537.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbTeF5 by Materials Project". United States. doi:10.17188/1269537. https://www.osti.gov/servlets/purl/1269537. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1269537,
title = {Materials Data on RbTeF5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbTeF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.94–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Rb–F bond distances ranging from 2.96–3.29 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.92–2.03 Å. In the second Te4+ site, Te4+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.94–2.02 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Rb1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalent Rb1+ and one Te4+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two Rb1+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one Te4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to two equivalent Rb1+ and one Te4+ atom.},
doi = {10.17188/1269537},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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