Materials Data on Cs2KTlBr6 by Materials Project
Abstract
Cs2KTlBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent KBr6 octahedra, and faces with four equivalent TlBr6 octahedra. All Cs–Br bond lengths are 4.21 Å. K1+ is bonded to six equivalent Br1- atoms to form KBr6 octahedra that share corners with six equivalent TlBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Br bond lengths are 3.17 Å. Tl3+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent KBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.79 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Tl3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1113030
- 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; Cs2KTlBr6; Br-Cs-K-Tl
- OSTI Identifier:
- 1749100
- DOI:
- https://doi.org/10.17188/1749100
Citation Formats
The Materials Project. Materials Data on Cs2KTlBr6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749100.
The Materials Project. Materials Data on Cs2KTlBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1749100
The Materials Project. 2020.
"Materials Data on Cs2KTlBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1749100. https://www.osti.gov/servlets/purl/1749100. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749100,
title = {Materials Data on Cs2KTlBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2KTlBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent KBr6 octahedra, and faces with four equivalent TlBr6 octahedra. All Cs–Br bond lengths are 4.21 Å. K1+ is bonded to six equivalent Br1- atoms to form KBr6 octahedra that share corners with six equivalent TlBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Br bond lengths are 3.17 Å. Tl3+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent KBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.79 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Tl3+ atom.},
doi = {10.17188/1749100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}