U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiB4 by Materials Project
Abstract
SiB4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to five B and two Si atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. There are one shorter (2.01 Å) and one longer (2.63 Å) B–Si bond lengths. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.85 Å) and two longer (1.92 Å) B–B bond length. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to three equivalent B and one Si atom. The Si–Si bond length is 2.17 Å. In the second Si site, Si is bonded in a 2-coordinate geometry to six equivalent B and two equivalent Si atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-978496
- 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; SiB4; B-Si
- OSTI Identifier:
- 1315915
- DOI:
- https://doi.org/10.17188/1315915
Citation Formats
The Materials Project. Materials Data on SiB4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315915.
The Materials Project. Materials Data on SiB4 by Materials Project. United States. doi:https://doi.org/10.17188/1315915
The Materials Project. 2020.
"Materials Data on SiB4 by Materials Project". United States. doi:https://doi.org/10.17188/1315915. https://www.osti.gov/servlets/purl/1315915. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1315915,
title = {Materials Data on SiB4 by Materials Project},
author = {The Materials Project},
abstractNote = {SiB4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to five B and two Si atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. There are one shorter (2.01 Å) and one longer (2.63 Å) B–Si bond lengths. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.85 Å) and two longer (1.92 Å) B–B bond length. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to three equivalent B and one Si atom. The Si–Si bond length is 2.17 Å. In the second Si site, Si is bonded in a 2-coordinate geometry to six equivalent B and two equivalent Si atoms.},
doi = {10.17188/1315915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}