U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaNaY(BO3)2 by Materials Project
Abstract
BaNaY(BO3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. There are three shorter (2.68 Å) and three longer (2.83 Å) Na–O bond lengths. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.84 Å) and six longer (2.87 Å) Ba–O bond lengths. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.27 Å. In the second Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.26 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Y3+, andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1182342
- 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; BaNaY(BO3)2; B-Ba-Na-O-Y
- OSTI Identifier:
- 1748855
- DOI:
- https://doi.org/10.17188/1748855
Citation Formats
The Materials Project. Materials Data on BaNaY(BO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748855.
The Materials Project. Materials Data on BaNaY(BO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1748855
The Materials Project. 2020.
"Materials Data on BaNaY(BO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1748855. https://www.osti.gov/servlets/purl/1748855. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1748855,
title = {Materials Data on BaNaY(BO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaNaY(BO3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. There are three shorter (2.68 Å) and three longer (2.83 Å) Na–O bond lengths. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.84 Å) and six longer (2.87 Å) Ba–O bond lengths. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.27 Å. In the second Y3+ site, Y3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.26 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Y3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Ba2+, one Y3+, and one B3+ atom.},
doi = {10.17188/1748855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}