U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on DyB3Mo by Materials Project
Abstract
DyMoB3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Dy3+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of Dy–B bond distances ranging from 2.64–3.24 Å. Mo6+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Mo–B bond distances ranging from 2.28–2.38 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Dy3+, three equivalent Mo6+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Dy3+, three equivalent Mo6+, and three B3- atoms. There is one shorter (1.79 Å) and two longer (1.85 Å) B–B bond length. In the third B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Dy3+, three equivalent Mo6+, and three B3- atoms. Both B–B bond lengths are 1.84 Å.
- Publication Date:
- Other Number(s):
- mp-1206856
- 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-Dy-Mo; DyB3Mo; crystal structure
- OSTI Identifier:
- 1698412
- DOI:
- https://doi.org/10.17188/1698412
Citation Formats
Materials Data on DyB3Mo by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698412.
Materials Data on DyB3Mo by Materials Project. United States. doi:https://doi.org/10.17188/1698412
2020.
"Materials Data on DyB3Mo by Materials Project". United States. doi:https://doi.org/10.17188/1698412. https://www.osti.gov/servlets/purl/1698412. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1698412,
title = {Materials Data on DyB3Mo by Materials Project},
abstractNote = {DyMoB3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Dy3+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of Dy–B bond distances ranging from 2.64–3.24 Å. Mo6+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Mo–B bond distances ranging from 2.28–2.38 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Dy3+, three equivalent Mo6+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Dy3+, three equivalent Mo6+, and three B3- atoms. There is one shorter (1.79 Å) and two longer (1.85 Å) B–B bond length. In the third B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Dy3+, three equivalent Mo6+, and three B3- atoms. Both B–B bond lengths are 1.84 Å.},
doi = {10.17188/1698412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}