U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y4(FeB2)3 by Materials Project
Abstract
Y4(FeB2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Y–B bond lengths are 2.65 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Y–B bond lengths are 2.63 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent Fe2+ atoms. Both Fe–Fe bond lengths are 2.49 Å. In the second Fe2+ site, Fe2+ is bonded in a 6-coordinate geometry to one Fe2+ and six equivalent B3- atoms. All Fe–B bond lengths are 2.13 Å. B3- is bonded in a 9-coordinate geometry to four Y3+, two equivalent Fe2+, and three equivalent B3- atoms. There is two shorter (1.78 Å) and one longer (1.79 Å) B–B bond length.
- Publication Date:
- Other Number(s):
- mp-1104580
- 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-Fe-Y; Y4(FeB2)3; crystal structure
- OSTI Identifier:
- 1725409
- DOI:
- https://doi.org/10.17188/1725409
Citation Formats
Materials Data on Y4(FeB2)3 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1725409.
Materials Data on Y4(FeB2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1725409
2018.
"Materials Data on Y4(FeB2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1725409. https://www.osti.gov/servlets/purl/1725409. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1725409,
title = {Materials Data on Y4(FeB2)3 by Materials Project},
abstractNote = {Y4(FeB2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Y–B bond lengths are 2.65 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Y–B bond lengths are 2.63 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent Fe2+ atoms. Both Fe–Fe bond lengths are 2.49 Å. In the second Fe2+ site, Fe2+ is bonded in a 6-coordinate geometry to one Fe2+ and six equivalent B3- atoms. All Fe–B bond lengths are 2.13 Å. B3- is bonded in a 9-coordinate geometry to four Y3+, two equivalent Fe2+, and three equivalent B3- atoms. There is two shorter (1.78 Å) and one longer (1.79 Å) B–B bond length.},
doi = {10.17188/1725409},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 18 04:00:00 UTC 2018},
month = {Wed Jul 18 04:00:00 UTC 2018}
}