U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YbPrSe3 by Materials Project
Abstract
PrYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.81 Å) and four longer (2.99 Å) Yb–Se bond lengths. Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.93–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form corner-sharing SeYb2Pr2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Pr3+ atoms.
- Publication Date:
- Other Number(s):
- mp-11786
- 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; crystal structure; Pr-Se-Yb; YbPrSe3
- OSTI Identifier:
- 1188363
- DOI:
- https://doi.org/10.17188/1188363
Citation Formats
Materials Data on YbPrSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1188363.
Materials Data on YbPrSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1188363
2020.
"Materials Data on YbPrSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1188363. https://www.osti.gov/servlets/purl/1188363. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1188363,
title = {Materials Data on YbPrSe3 by Materials Project},
abstractNote = {PrYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.81 Å) and four longer (2.99 Å) Yb–Se bond lengths. Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.93–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form corner-sharing SeYb2Pr2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Pr3+ atoms.},
doi = {10.17188/1188363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}