Materials Data on KTl(CoSe)4 by Materials Project
Abstract
KTl(CoSe)4 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All K–Se bond lengths are 3.41 Å. Co+1.50+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CoSe4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.35 Å) Co–Se bond lengths. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Co+1.50+ and four equivalent Tl1+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Co+1.50+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223231
- 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; KTl(CoSe)4; Co-K-Se-Tl
- OSTI Identifier:
- 1728253
- DOI:
- https://doi.org/10.17188/1728253
Citation Formats
The Materials Project. Materials Data on KTl(CoSe)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1728253.
The Materials Project. Materials Data on KTl(CoSe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1728253
The Materials Project. 2020.
"Materials Data on KTl(CoSe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1728253. https://www.osti.gov/servlets/purl/1728253. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1728253,
title = {Materials Data on KTl(CoSe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {KTl(CoSe)4 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All K–Se bond lengths are 3.41 Å. Co+1.50+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CoSe4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.35 Å) Co–Se bond lengths. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Co+1.50+ and four equivalent Tl1+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Co+1.50+ atoms.},
doi = {10.17188/1728253},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon May 04 00:00:00 EDT 2020},
month = {Mon May 04 00:00:00 EDT 2020}
}