Materials Data on NaDySe2 by Materials Project
Abstract
NaDySe2 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 DySe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent DySe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–Se bond lengths are 3.06 Å. Dy3+ is bonded to six equivalent Se2- atoms to form DySe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent DySe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Dy–Se bond lengths are 2.88 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing SeNa3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-999488
- 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; NaDySe2; Dy-Na-Se
- OSTI Identifier:
- 1317588
- DOI:
- https://doi.org/10.17188/1317588
Citation Formats
The Materials Project. Materials Data on NaDySe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317588.
The Materials Project. Materials Data on NaDySe2 by Materials Project. United States. doi:https://doi.org/10.17188/1317588
The Materials Project. 2020.
"Materials Data on NaDySe2 by Materials Project". United States. doi:https://doi.org/10.17188/1317588. https://www.osti.gov/servlets/purl/1317588. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1317588,
title = {Materials Data on NaDySe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaDySe2 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 DySe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent DySe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–Se bond lengths are 3.06 Å. Dy3+ is bonded to six equivalent Se2- atoms to form DySe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent DySe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Dy–Se bond lengths are 2.88 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing SeNa3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}