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Title: Materials Data on K2ReH9 by Materials Project

Abstract

K2ReH9 crystallizes in the hexagonal P-62m 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 ten H+0.56- atoms. There are eight shorter (2.70 Å) and two longer (2.92 Å) K–H bond lengths. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to fourteen H+0.56- atoms. There are a spread of K–H bond distances ranging from 2.92–3.06 Å. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 9-coordinate geometry to nine H+0.56- atoms. There is three shorter (1.68 Å) and six longer (1.71 Å) Re–H bond length. In the second Re3+ site, Re3+ is bonded in a 9-coordinate geometry to nine H+0.56- atoms. There is three shorter (1.69 Å) and six longer (1.71 Å) Re–H bond length. There are four inequivalent H+0.56- sites. In the first H+0.56- site, H+0.56- is bonded in a 1-coordinate geometry to three K1+ and one Re3+ atom. In the second H+0.56- site, H+0.56- is bonded in a single-bond geometry to two equivalent K1+ and one Re3+ atom. In the third H+0.56- site, H+0.56- is bonded in a 4-coordinate geometry tomore » three K1+ and one Re3+ atom. In the fourth H+0.56- site, H+0.56- is bonded in a single-bond geometry to two equivalent K1+ and one Re3+ atom.« less

Publication Date:
Other Number(s):
mp-29877
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; K2ReH9; H-K-Re
OSTI Identifier:
1204311
DOI:
https://doi.org/10.17188/1204311

Citation Formats

The Materials Project. Materials Data on K2ReH9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204311.
The Materials Project. Materials Data on K2ReH9 by Materials Project. United States. doi:https://doi.org/10.17188/1204311
The Materials Project. 2020. "Materials Data on K2ReH9 by Materials Project". United States. doi:https://doi.org/10.17188/1204311. https://www.osti.gov/servlets/purl/1204311. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204311,
title = {Materials Data on K2ReH9 by Materials Project},
author = {The Materials Project},
abstractNote = {K2ReH9 crystallizes in the hexagonal P-62m 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 ten H+0.56- atoms. There are eight shorter (2.70 Å) and two longer (2.92 Å) K–H bond lengths. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to fourteen H+0.56- atoms. There are a spread of K–H bond distances ranging from 2.92–3.06 Å. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 9-coordinate geometry to nine H+0.56- atoms. There is three shorter (1.68 Å) and six longer (1.71 Å) Re–H bond length. In the second Re3+ site, Re3+ is bonded in a 9-coordinate geometry to nine H+0.56- atoms. There is three shorter (1.69 Å) and six longer (1.71 Å) Re–H bond length. There are four inequivalent H+0.56- sites. In the first H+0.56- site, H+0.56- is bonded in a 1-coordinate geometry to three K1+ and one Re3+ atom. In the second H+0.56- site, H+0.56- is bonded in a single-bond geometry to two equivalent K1+ and one Re3+ atom. In the third H+0.56- site, H+0.56- is bonded in a 4-coordinate geometry to three K1+ and one Re3+ atom. In the fourth H+0.56- site, H+0.56- is bonded in a single-bond geometry to two equivalent K1+ and one Re3+ atom.},
doi = {10.17188/1204311},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}