U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K6Tl2Sb3 by Materials Project
Abstract
K6Tl2Sb3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to three Tl1+ and four Sb+2.67- atoms. There are a spread of K–Tl bond distances ranging from 3.71–3.95 Å. There are a spread of K–Sb bond distances ranging from 3.60–3.76 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to two equivalent Tl1+ and four Sb+2.67- atoms. There are one shorter (3.66 Å) and one longer (3.89 Å) K–Tl bond lengths. There are a spread of K–Sb bond distances ranging from 3.67–3.80 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to one Tl1+ and four Sb+2.67- atoms. The K–Tl bond length is 3.49 Å. There are a spread of K–Sb bond distances ranging from 3.59–3.76 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to one Tl1+ and four Sb+2.67- atoms. The K–Tl bond length is 3.49 Å. There are a spread of K–Sb bond distances ranging from 3.66–3.72 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to two equivalent Tl1+ andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-30149
- 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; K6Tl2Sb3; K-Sb-Tl
- OSTI Identifier:
- 1204565
- DOI:
- https://doi.org/10.17188/1204565
Citation Formats
The Materials Project. Materials Data on K6Tl2Sb3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204565.
The Materials Project. Materials Data on K6Tl2Sb3 by Materials Project. United States. doi:https://doi.org/10.17188/1204565
The Materials Project. 2020.
"Materials Data on K6Tl2Sb3 by Materials Project". United States. doi:https://doi.org/10.17188/1204565. https://www.osti.gov/servlets/purl/1204565. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1204565,
title = {Materials Data on K6Tl2Sb3 by Materials Project},
author = {The Materials Project},
abstractNote = {K6Tl2Sb3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to three Tl1+ and four Sb+2.67- atoms. There are a spread of K–Tl bond distances ranging from 3.71–3.95 Å. There are a spread of K–Sb bond distances ranging from 3.60–3.76 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to two equivalent Tl1+ and four Sb+2.67- atoms. There are one shorter (3.66 Å) and one longer (3.89 Å) K–Tl bond lengths. There are a spread of K–Sb bond distances ranging from 3.67–3.80 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to one Tl1+ and four Sb+2.67- atoms. The K–Tl bond length is 3.49 Å. There are a spread of K–Sb bond distances ranging from 3.59–3.76 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to one Tl1+ and four Sb+2.67- atoms. The K–Tl bond length is 3.49 Å. There are a spread of K–Sb bond distances ranging from 3.66–3.72 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to two equivalent Tl1+ and four Sb+2.67- atoms. There are one shorter (3.64 Å) and one longer (3.91 Å) K–Tl bond lengths. There are a spread of K–Sb bond distances ranging from 3.60–3.87 Å. In the sixth K1+ site, K1+ is bonded in a distorted see-saw-like geometry to four Sb+2.67- atoms. There are two shorter (3.53 Å) and two longer (3.63 Å) K–Sb bond lengths. In the seventh K1+ site, K1+ is bonded in a see-saw-like geometry to four Sb+2.67- atoms. There are two shorter (3.53 Å) and two longer (3.70 Å) K–Sb bond lengths. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six K1+, one Tl1+, and three Sb+2.67- atoms. The Tl–Tl bond length is 3.77 Å. There are a spread of Tl–Sb bond distances ranging from 3.26–3.28 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to three K1+, two Tl1+, and three Sb+2.67- atoms. The Tl–Tl bond length is 3.30 Å. There are a spread of Tl–Sb bond distances ranging from 3.13–3.22 Å. There are three inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a 10-coordinate geometry to eight K1+ and two Tl1+ atoms. In the second Sb+2.67- site, Sb+2.67- is bonded in a distorted q6 geometry to eight K1+ and two Tl1+ atoms. In the third Sb+2.67- site, Sb+2.67- is bonded in a 10-coordinate geometry to eight K1+ and two Tl1+ atoms.},
doi = {10.17188/1204565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}