Materials Data on LaYbSe3 by Materials Project
Abstract
LaYbSe3 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 (3.01 Å) Yb–Se bond lengths. La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 2.94–3.45 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent La3+ atoms to form corner-sharing SeLa2Yb2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent La3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-11784
- 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; LaYbSe3; La-Se-Yb
- OSTI Identifier:
- 1188362
- DOI:
- https://doi.org/10.17188/1188362
Citation Formats
The Materials Project. Materials Data on LaYbSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1188362.
The Materials Project. Materials Data on LaYbSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1188362
The Materials Project. 2020.
"Materials Data on LaYbSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1188362. https://www.osti.gov/servlets/purl/1188362. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188362,
title = {Materials Data on LaYbSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaYbSe3 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 (3.01 Å) Yb–Se bond lengths. La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 2.94–3.45 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent La3+ atoms to form corner-sharing SeLa2Yb2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent La3+ atoms.},
doi = {10.17188/1188362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}