U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErB4W by Materials Project
Abstract
ErWB4 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 2.66–2.82 Å. W3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of W–B bond distances ranging from 2.36–2.40 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 W3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.79–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent W3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.78 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 Er3+, four equivalent W3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.78 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 Er3+, two equivalent W3+, and three B+1.50- atoms.
- Publication Date:
- Other Number(s):
- mp-1192093
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Er-W; ErB4W; crystal structure
- OSTI Identifier:
- 1680891
- DOI:
- https://doi.org/10.17188/1680891
Citation Formats
Materials Data on ErB4W by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1680891.
Materials Data on ErB4W by Materials Project. United States. doi:https://doi.org/10.17188/1680891
2019.
"Materials Data on ErB4W by Materials Project". United States. doi:https://doi.org/10.17188/1680891. https://www.osti.gov/servlets/purl/1680891. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1680891,
title = {Materials Data on ErB4W by Materials Project},
abstractNote = {ErWB4 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 2.66–2.82 Å. W3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of W–B bond distances ranging from 2.36–2.40 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 W3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.79–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent W3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.78 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 Er3+, four equivalent W3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.78 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 Er3+, two equivalent W3+, and three B+1.50- atoms.},
doi = {10.17188/1680891},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}