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Title: Materials Data on K3ReH6 by Materials Project

Abstract

K3ReH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve equivalent H1- atoms. All K–H bond lengths are 3.08 Å. In the second K1+ site, K1+ is bonded to six equivalent H1- atoms to form KH6 octahedra that share corners with six equivalent ReH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.54 Å. Re3+ is bonded to six equivalent H1- atoms to form ReH6 octahedra that share corners with six equivalent KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Re–H bond lengths are 1.79 Å. H1- is bonded in a linear geometry to five K1+ and one Re3+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1284577
Report Number(s):
mp-690789
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; K3ReH6; H-K-Re

Citation Formats

The Materials Project. Materials Data on K3ReH6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284577.
The Materials Project. Materials Data on K3ReH6 by Materials Project. United States. https://doi.org/10.17188/1284577
The Materials Project. 2020. "Materials Data on K3ReH6 by Materials Project". United States. https://doi.org/10.17188/1284577. https://www.osti.gov/servlets/purl/1284577.
@article{osti_1284577,
title = {Materials Data on K3ReH6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3ReH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve equivalent H1- atoms. All K–H bond lengths are 3.08 Å. In the second K1+ site, K1+ is bonded to six equivalent H1- atoms to form KH6 octahedra that share corners with six equivalent ReH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.54 Å. Re3+ is bonded to six equivalent H1- atoms to form ReH6 octahedra that share corners with six equivalent KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Re–H bond lengths are 1.79 Å. H1- is bonded in a linear geometry to five K1+ and one Re3+ atom.},
doi = {10.17188/1284577},
url = {https://www.osti.gov/biblio/1284577}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}