Materials Data on TbNaSe2 by Materials Project
Abstract
NaTbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent TbSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Se bond lengths are 3.06 Å. Tb3+ is bonded to six equivalent Se2- atoms to form TbSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Tb–Se bond lengths are 2.89 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SeNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-999127
- 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; TbNaSe2; Na-Se-Tb
- OSTI Identifier:
- 1317480
- DOI:
- https://doi.org/10.17188/1317480
Citation Formats
The Materials Project. Materials Data on TbNaSe2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1317480.
The Materials Project. Materials Data on TbNaSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1317480
The Materials Project. 2017.
"Materials Data on TbNaSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1317480. https://www.osti.gov/servlets/purl/1317480. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1317480,
title = {Materials Data on TbNaSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaTbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent TbSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Se bond lengths are 3.06 Å. Tb3+ is bonded to six equivalent Se2- atoms to form TbSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Tb–Se bond lengths are 2.89 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SeNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317480},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 09 00:00:00 EDT 2017},
month = {Tue May 09 00:00:00 EDT 2017}
}