Materials Data on Na4Al3Si3B(HO3)4 by Materials Project
Abstract
Na4Al3(SiO4)3BH4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of two BH4 clusters and one Na4Al3(SiO4)3 framework. In each BH4 cluster, B3+ is bonded in a tetrahedral geometry to four equivalent H1+ atoms. All B–H bond lengths are 1.23 Å. H1+ is bonded in a single-bond geometry to one B3+ atom. In the Na4Al3(SiO4)3 framework, Na1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.36 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si+1.33+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si+1.33+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-694981
- 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; Na4Al3Si3B(HO3)4; Al-B-H-Na-O-Si
- OSTI Identifier:
- 1284758
- DOI:
- https://doi.org/10.17188/1284758
Citation Formats
The Materials Project. Materials Data on Na4Al3Si3B(HO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284758.
The Materials Project. Materials Data on Na4Al3Si3B(HO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1284758
The Materials Project. 2020.
"Materials Data on Na4Al3Si3B(HO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1284758. https://www.osti.gov/servlets/purl/1284758. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1284758,
title = {Materials Data on Na4Al3Si3B(HO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4Al3(SiO4)3BH4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of two BH4 clusters and one Na4Al3(SiO4)3 framework. In each BH4 cluster, B3+ is bonded in a tetrahedral geometry to four equivalent H1+ atoms. All B–H bond lengths are 1.23 Å. H1+ is bonded in a single-bond geometry to one B3+ atom. In the Na4Al3(SiO4)3 framework, Na1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.36 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si+1.33+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si+1.33+ atom.},
doi = {10.17188/1284758},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}