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Title: Materials Data on K2ReI6 by Materials Project

Abstract

K2ReI6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.63–3.96 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.62–3.94 Å. Re4+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.75 Å) and four longer (2.76 Å) Re–I bond lengths. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Re4+ atom. In the fourth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Re4+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three K1+more » and one Re4+ atom. In the sixth I1- site, I1- is bonded in a distorted see-saw-like geometry to three K1+ and one Re4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-30216
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; K2ReI6; I-K-Re
OSTI Identifier:
1204628
DOI:
https://doi.org/10.17188/1204628

Citation Formats

The Materials Project. Materials Data on K2ReI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204628.
The Materials Project. Materials Data on K2ReI6 by Materials Project. United States. doi:https://doi.org/10.17188/1204628
The Materials Project. 2020. "Materials Data on K2ReI6 by Materials Project". United States. doi:https://doi.org/10.17188/1204628. https://www.osti.gov/servlets/purl/1204628. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204628,
title = {Materials Data on K2ReI6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2ReI6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.63–3.96 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.62–3.94 Å. Re4+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.75 Å) and four longer (2.76 Å) Re–I bond lengths. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Re4+ atom. In the fourth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Re4+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the sixth I1- site, I1- is bonded in a distorted see-saw-like geometry to three K1+ and one Re4+ atom.},
doi = {10.17188/1204628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}