Materials Data on KTbS2 by Materials Project
Abstract
KTbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form distorted KS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All K–S bond lengths are 3.22 Å. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent KS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Tb–S bond lengths are 2.78 Å. S2- is bonded to three equivalent K1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SK3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-999129
- 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; KTbS2; K-S-Tb
- OSTI Identifier:
- 1317481
- DOI:
- https://doi.org/10.17188/1317481
Citation Formats
The Materials Project. Materials Data on KTbS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317481.
The Materials Project. Materials Data on KTbS2 by Materials Project. United States. doi:https://doi.org/10.17188/1317481
The Materials Project. 2020.
"Materials Data on KTbS2 by Materials Project". United States. doi:https://doi.org/10.17188/1317481. https://www.osti.gov/servlets/purl/1317481. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1317481,
title = {Materials Data on KTbS2 by Materials Project},
author = {The Materials Project},
abstractNote = {KTbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form distorted KS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All K–S bond lengths are 3.22 Å. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent KS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Tb–S bond lengths are 2.78 Å. S2- is bonded to three equivalent K1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SK3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317481},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}