Materials Data on ErB4Rh by Materials Project
Abstract
ErRhB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.61–2.77 Å. Rh3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Rh–B bond distances ranging from 2.25–2.42 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 Er3+, two equivalent Rh3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and two longer (1.86 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Rh3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Rh3+, and three B+1.50- atoms. The B–B bond length is 1.76 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Rh3+, and three B+1.50- atoms. The B–B bond length is 1.73 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-13342
- 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; ErB4Rh; B-Er-Rh
- OSTI Identifier:
- 1189529
- DOI:
- https://doi.org/10.17188/1189529
Citation Formats
The Materials Project. Materials Data on ErB4Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189529.
The Materials Project. Materials Data on ErB4Rh by Materials Project. United States. doi:https://doi.org/10.17188/1189529
The Materials Project. 2020.
"Materials Data on ErB4Rh by Materials Project". United States. doi:https://doi.org/10.17188/1189529. https://www.osti.gov/servlets/purl/1189529. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189529,
title = {Materials Data on ErB4Rh by Materials Project},
author = {The Materials Project},
abstractNote = {ErRhB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.61–2.77 Å. Rh3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Rh–B bond distances ranging from 2.25–2.42 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 Er3+, two equivalent Rh3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and two longer (1.86 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Rh3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Rh3+, and three B+1.50- atoms. The B–B bond length is 1.76 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Rh3+, and three B+1.50- atoms. The B–B bond length is 1.73 Å.},
doi = {10.17188/1189529},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}