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Title: Materials Data on Rb7(FeTe2)4 by Materials Project

Abstract

Rb7(FeTe2)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.69–3.98 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.69–4.33 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.65–4.16 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.70–4.17 Å. There are two inequivalent Fe+2.25+ sites. In the first Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are a spread of Fe–Te bond distances ranging from 2.59–2.63 Å. In the second Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are a spread of Fe–Te bond distances ranging from 2.59–2.63 Å. There are four inequivalent Te2- sites.more » In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to five Rb1+ and three Fe+2.25+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to five Rb1+ and three Fe+2.25+ atoms. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to seven Rb1+ and one Fe+2.25+ atom. In the fourth Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to seven Rb1+ and one Fe+2.25+ atom.« less

Publication Date:
Other Number(s):
mp-1194713
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; Rb7(FeTe2)4; Fe-Rb-Te
OSTI Identifier:
1752755
DOI:
https://doi.org/10.17188/1752755

Citation Formats

The Materials Project. Materials Data on Rb7(FeTe2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752755.
The Materials Project. Materials Data on Rb7(FeTe2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1752755
The Materials Project. 2020. "Materials Data on Rb7(FeTe2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1752755. https://www.osti.gov/servlets/purl/1752755. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1752755,
title = {Materials Data on Rb7(FeTe2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb7(FeTe2)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.69–3.98 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.69–4.33 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.65–4.16 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.70–4.17 Å. There are two inequivalent Fe+2.25+ sites. In the first Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are a spread of Fe–Te bond distances ranging from 2.59–2.63 Å. In the second Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are a spread of Fe–Te bond distances ranging from 2.59–2.63 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to five Rb1+ and three Fe+2.25+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to five Rb1+ and three Fe+2.25+ atoms. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to seven Rb1+ and one Fe+2.25+ atom. In the fourth Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to seven Rb1+ and one Fe+2.25+ atom.},
doi = {10.17188/1752755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}