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Title: Materials Data on Yb4Mg4Fe3H22 by Materials Project

Abstract

Yb4Mg4Fe3H22 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Mg2+ is bonded in a 1-coordinate geometry to four H1- atoms. There is one shorter (1.84 Å) and three longer (2.02 Å) Mg–H bond length. Yb2+ is bonded in a 12-coordinate geometry to twelve H1- atoms. There are a spread of Yb–H bond distances ranging from 2.36–2.71 Å. Fe2+ is bonded in an octahedral geometry to six H1- atoms. All Fe–H bond lengths are 1.58 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Yb2+ and one Fe2+ atom. In the second H1- site, H1- is bonded in a distorted T-shaped geometry to two equivalent Mg2+, two equivalent Yb2+, and one Fe2+ atom. In the third H1- site, H1- is bonded to one Mg2+ and three equivalent Yb2+ atoms to form distorted edge-sharing HYb3Mg tetrahedra.

Publication Date:
Other Number(s):
mp-643071
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; Yb4Mg4Fe3H22; Fe-H-Mg-Yb
OSTI Identifier:
1280257
DOI:
10.17188/1280257

Citation Formats

The Materials Project. Materials Data on Yb4Mg4Fe3H22 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280257.
The Materials Project. Materials Data on Yb4Mg4Fe3H22 by Materials Project. United States. doi:10.17188/1280257.
The Materials Project. 2020. "Materials Data on Yb4Mg4Fe3H22 by Materials Project". United States. doi:10.17188/1280257. https://www.osti.gov/servlets/purl/1280257. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1280257,
title = {Materials Data on Yb4Mg4Fe3H22 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb4Mg4Fe3H22 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Mg2+ is bonded in a 1-coordinate geometry to four H1- atoms. There is one shorter (1.84 Å) and three longer (2.02 Å) Mg–H bond length. Yb2+ is bonded in a 12-coordinate geometry to twelve H1- atoms. There are a spread of Yb–H bond distances ranging from 2.36–2.71 Å. Fe2+ is bonded in an octahedral geometry to six H1- atoms. All Fe–H bond lengths are 1.58 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Yb2+ and one Fe2+ atom. In the second H1- site, H1- is bonded in a distorted T-shaped geometry to two equivalent Mg2+, two equivalent Yb2+, and one Fe2+ atom. In the third H1- site, H1- is bonded to one Mg2+ and three equivalent Yb2+ atoms to form distorted edge-sharing HYb3Mg tetrahedra.},
doi = {10.17188/1280257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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