Materials Data on NaBiTe2 by Materials Project
Abstract
NaBiTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Te2- atoms to form NaTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Te bond lengths are 3.29 Å. Bi3+ is bonded to six equivalent Te2- atoms to form BiTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Bi–Te bond lengths are 3.17 Å. Te2- is bonded to three equivalent Na1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeNa3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1221102
- 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; NaBiTe2; Bi-Na-Te
- OSTI Identifier:
- 1706759
- DOI:
- https://doi.org/10.17188/1706759
Citation Formats
The Materials Project. Materials Data on NaBiTe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706759.
The Materials Project. Materials Data on NaBiTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1706759
The Materials Project. 2020.
"Materials Data on NaBiTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1706759. https://www.osti.gov/servlets/purl/1706759. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1706759,
title = {Materials Data on NaBiTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaBiTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Te2- atoms to form NaTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Te bond lengths are 3.29 Å. Bi3+ is bonded to six equivalent Te2- atoms to form BiTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Bi–Te bond lengths are 3.17 Å. Te2- is bonded to three equivalent Na1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeNa3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1706759},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 09 00:00:00 EDT 2020},
month = {Sat May 09 00:00:00 EDT 2020}
}