Materials Data on Y(BH4)3 by Materials Project
Abstract
Y(BH4)3 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Y3+ is bonded in a distorted q6 geometry to twelve H+0.50+ atoms. There are a spread of Y–H bond distances ranging from 2.28–2.35 Å. B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. All B–H bond lengths are 1.23 Å. There are four inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-571369
- 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; Y(BH4)3; B-H-Y
- OSTI Identifier:
- 1272970
- DOI:
- https://doi.org/10.17188/1272970
Citation Formats
The Materials Project. Materials Data on Y(BH4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272970.
The Materials Project. Materials Data on Y(BH4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1272970
The Materials Project. 2020.
"Materials Data on Y(BH4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1272970. https://www.osti.gov/servlets/purl/1272970. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1272970,
title = {Materials Data on Y(BH4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(BH4)3 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Y3+ is bonded in a distorted q6 geometry to twelve H+0.50+ atoms. There are a spread of Y–H bond distances ranging from 2.28–2.35 Å. B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. All B–H bond lengths are 1.23 Å. There are four inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Y3+ and one B3- atom.},
doi = {10.17188/1272970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}