U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeCrB4 by Materials Project
Abstract
CeCrB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ce–B bond distances ranging from 2.66–2.78 Å. Cr3+ is bonded in a 11-coordinate geometry to one Cr3+ and ten B+1.50- atoms. The Cr–Cr bond length is 2.38 Å. There are a spread of Cr–B bond distances ranging from 2.30–2.34 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 Ce3+, two equivalent Cr3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.79–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.83 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ce3+, four equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.70 Å) and one longer (1.74 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 Ce3+, twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191927
- 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; CeCrB4; B-Ce-Cr
- OSTI Identifier:
- 1662572
- DOI:
- https://doi.org/10.17188/1662572
Citation Formats
The Materials Project. Materials Data on CeCrB4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1662572.
The Materials Project. Materials Data on CeCrB4 by Materials Project. United States. doi:https://doi.org/10.17188/1662572
The Materials Project. 2020.
"Materials Data on CeCrB4 by Materials Project". United States. doi:https://doi.org/10.17188/1662572. https://www.osti.gov/servlets/purl/1662572. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1662572,
title = {Materials Data on CeCrB4 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCrB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ce–B bond distances ranging from 2.66–2.78 Å. Cr3+ is bonded in a 11-coordinate geometry to one Cr3+ and ten B+1.50- atoms. The Cr–Cr bond length is 2.38 Å. There are a spread of Cr–B bond distances ranging from 2.30–2.34 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 Ce3+, two equivalent Cr3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.79–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.83 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ce3+, four equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.70 Å) and one longer (1.74 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 Ce3+, two equivalent Cr3+, and three B+1.50- atoms.},
doi = {10.17188/1662572},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}