U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaB15 by Materials Project
Abstract
NaB15 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to sixteen B atoms. There are a spread of Na–B bond distances ranging from 2.50–2.88 Å. There are six inequivalent B sites. In the first B site, B is bonded in a distorted rectangular see-saw-like geometry to four B atoms. There is two shorter (1.60 Å) and two longer (1.75 Å) B–B bond length. In the second B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.76–2.08 Å. In the third B site, B is bonded in a 7-coordinate geometry to one Na and six B atoms. There are a spread of B–B bond distances ranging from 1.76–1.83 Å. In the fourth B site, B is bonded in a 4-coordinate geometry to one Na and five B atoms. There is two shorter (1.72 Å) and one longer (2.16 Å) B–B bond length. In the fifth B site, B is bonded in a 8-coordinate geometry to two equivalent Na and six B atoms. There are a spread of B–B bond distances ranging from 1.77–1.88 Å. In the sixthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-2315
- 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; NaB15; B-Na
- OSTI Identifier:
- 1199269
- DOI:
- https://doi.org/10.17188/1199269
Citation Formats
The Materials Project. Materials Data on NaB15 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199269.
The Materials Project. Materials Data on NaB15 by Materials Project. United States. doi:https://doi.org/10.17188/1199269
The Materials Project. 2020.
"Materials Data on NaB15 by Materials Project". United States. doi:https://doi.org/10.17188/1199269. https://www.osti.gov/servlets/purl/1199269. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1199269,
title = {Materials Data on NaB15 by Materials Project},
author = {The Materials Project},
abstractNote = {NaB15 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to sixteen B atoms. There are a spread of Na–B bond distances ranging from 2.50–2.88 Å. There are six inequivalent B sites. In the first B site, B is bonded in a distorted rectangular see-saw-like geometry to four B atoms. There is two shorter (1.60 Å) and two longer (1.75 Å) B–B bond length. In the second B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.76–2.08 Å. In the third B site, B is bonded in a 7-coordinate geometry to one Na and six B atoms. There are a spread of B–B bond distances ranging from 1.76–1.83 Å. In the fourth B site, B is bonded in a 4-coordinate geometry to one Na and five B atoms. There is two shorter (1.72 Å) and one longer (2.16 Å) B–B bond length. In the fifth B site, B is bonded in a 8-coordinate geometry to two equivalent Na and six B atoms. There are a spread of B–B bond distances ranging from 1.77–1.88 Å. In the sixth B site, B is bonded in a 7-coordinate geometry to one Na and six B atoms. The B–B bond length is 1.78 Å.},
doi = {10.17188/1199269},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}