Materials Data on NaSbTe2 by Materials Project
Abstract
NaSbTe2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded to six Te2- atoms to form NaTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with four equivalent NaTe6 octahedra, and edges with eight equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.10 Å) and four longer (3.15 Å) Na–Te bond lengths. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with six equivalent SbTe6 octahedra, edges with four equivalent SbTe6 octahedra, and edges with eight equivalent NaTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.10 Å) and four longer (3.15 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Na1+ and four equivalent Sb3+ atoms to form a mixture of distorted edge and corner-sharing TeNa2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Na1+ and two equivalent Sb3+ atoms to form TeNa4Sb2 octahedra that share corners with six equivalent TeNa4Sb2 octahedra and edges with twelve TeNa2Sb4 octahedra. The corner-sharing octahedral tilt angles aremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1220876
- 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; NaSbTe2; Na-Sb-Te
- OSTI Identifier:
- 1748476
- DOI:
- https://doi.org/10.17188/1748476
Citation Formats
The Materials Project. Materials Data on NaSbTe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748476.
The Materials Project. Materials Data on NaSbTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1748476
The Materials Project. 2020.
"Materials Data on NaSbTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1748476. https://www.osti.gov/servlets/purl/1748476. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748476,
title = {Materials Data on NaSbTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaSbTe2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded to six Te2- atoms to form NaTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with four equivalent NaTe6 octahedra, and edges with eight equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.10 Å) and four longer (3.15 Å) Na–Te bond lengths. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with six equivalent SbTe6 octahedra, edges with four equivalent SbTe6 octahedra, and edges with eight equivalent NaTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.10 Å) and four longer (3.15 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Na1+ and four equivalent Sb3+ atoms to form a mixture of distorted edge and corner-sharing TeNa2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Na1+ and two equivalent Sb3+ atoms to form TeNa4Sb2 octahedra that share corners with six equivalent TeNa4Sb2 octahedra and edges with twelve TeNa2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1748476},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}