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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-643246
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; YbMgNiH4; H-Mg-Ni-Yb
- OSTI Identifier:
- 1280274
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1280274
The Materials Project. 2020.
"Materials Data on YbMgNiH4 by Materials Project". United States. doi:https://doi.org/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 = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}
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