U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScCoB4 by Materials Project
Abstract
ScCoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sc3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Sc–B bond distances ranging from 2.46–2.62 Å. Co3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.12–2.23 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sc3+, two equivalent Co3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.72–1.79 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sc3+, two equivalent Co3+, and three B+1.50- atoms. Both B–B bond lengths are 1.70 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Sc3+, four equivalent Co3+, and three B+1.50- atoms. There is one shorter (1.69 Å) and one longer (1.71 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sc3+, two equivalent Co3+, and three B+1.50- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191630
- 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; ScCoB4; B-Co-Sc
- OSTI Identifier:
- 1675857
- DOI:
- https://doi.org/10.17188/1675857
Citation Formats
The Materials Project. Materials Data on ScCoB4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1675857.
The Materials Project. Materials Data on ScCoB4 by Materials Project. United States. doi:https://doi.org/10.17188/1675857
The Materials Project. 2019.
"Materials Data on ScCoB4 by Materials Project". United States. doi:https://doi.org/10.17188/1675857. https://www.osti.gov/servlets/purl/1675857. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1675857,
title = {Materials Data on ScCoB4 by Materials Project},
author = {The Materials Project},
abstractNote = {ScCoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sc3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Sc–B bond distances ranging from 2.46–2.62 Å. Co3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.12–2.23 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sc3+, two equivalent Co3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.72–1.79 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sc3+, two equivalent Co3+, and three B+1.50- atoms. Both B–B bond lengths are 1.70 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Sc3+, four equivalent Co3+, and three B+1.50- atoms. There is one shorter (1.69 Å) and one longer (1.71 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Sc3+, two equivalent Co3+, and three B+1.50- atoms.},
doi = {10.17188/1675857},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}