Title: Materials Data on Sr2FeH6 by Materials Project

Abstract

Sr2FeH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent H1- atoms to form SrH12 cuboctahedra that share corners with twelve equivalent SrH12 cuboctahedra, faces with six equivalent SrH12 cuboctahedra, and faces with four equivalent FeH6 octahedra. All Sr–H bond lengths are 2.65 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with eight equivalent SrH12 cuboctahedra. All Fe–H bond lengths are 1.62 Å. H1- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one Fe2+ atom.

Publication Date:
Other Number(s):
mp-1078746
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Fe-H-Sr; Sr2FeH6
OSTI Identifier:
1752589
DOI:
https://doi.org/10.17188/1752589

Citation Formats

Materials Data on Sr2FeH6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752589.
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Materials Data on Sr2FeH6 by Materials Project. United States. doi:https://doi.org/10.17188/1752589
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2020. "Materials Data on Sr2FeH6 by Materials Project". United States. doi:https://doi.org/10.17188/1752589. https://www.osti.gov/servlets/purl/1752589. Pub date:Fri May 08 20:00:00 EDT 2020
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@article{osti_1752589,
title = {Materials Data on Sr2FeH6 by Materials Project},
abstractNote = {Sr2FeH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent H1- atoms to form SrH12 cuboctahedra that share corners with twelve equivalent SrH12 cuboctahedra, faces with six equivalent SrH12 cuboctahedra, and faces with four equivalent FeH6 octahedra. All Sr–H bond lengths are 2.65 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with eight equivalent SrH12 cuboctahedra. All Fe–H bond lengths are 1.62 Å. H1- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one Fe2+ atom.},
doi = {10.17188/1752589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1752589
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