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Title: Materials Data on YbMgNiH4 by Materials Project

Abstract

YbMgNiH4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six equivalent H atoms. All Mg–H bond lengths are 2.09 Å. Yb is bonded in a distorted hexagonal planar geometry to six H atoms. There are three shorter (2.40 Å) and three longer (2.49 Å) Yb–H bond lengths. Ni is bonded in a tetrahedral geometry to four H atoms. There is one shorter (1.58 Å) and three longer (1.59 Å) Ni–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Yb and one Ni atom to form corner-sharing HYb3Ni trigonal pyramids. In the second H site, H is bonded in a 4-coordinate geometry to two equivalent Mg, one Yb, and one Ni atom.

Publication Date:
Other Number(s):
mp-643246
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; YbMgNiH4; H-Mg-Ni-Yb
OSTI Identifier:
1280274
DOI:
10.17188/1280274

Citation Formats

The Materials Project. Materials Data on YbMgNiH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280274.
The Materials Project. Materials Data on YbMgNiH4 by Materials Project. United States. doi:10.17188/1280274.
The Materials Project. 2020. "Materials Data on YbMgNiH4 by Materials Project". United States. doi:10.17188/1280274. https://www.osti.gov/servlets/purl/1280274. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280274,
title = {Materials Data on YbMgNiH4 by Materials Project},
author = {The Materials Project},
abstractNote = {YbMgNiH4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six equivalent H atoms. All Mg–H bond lengths are 2.09 Å. Yb is bonded in a distorted hexagonal planar geometry to six H atoms. There are three shorter (2.40 Å) and three longer (2.49 Å) Yb–H bond lengths. Ni is bonded in a tetrahedral geometry to four H atoms. There is one shorter (1.58 Å) and three longer (1.59 Å) Ni–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Yb and one Ni atom to form corner-sharing HYb3Ni trigonal pyramids. In the second H site, H is bonded in a 4-coordinate geometry to two equivalent Mg, one Yb, and one Ni atom.},
doi = {10.17188/1280274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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