Materials Data on K2TlAsBr6 by Materials Project
Abstract
K2TlAsBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form distorted KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent TlBr6 octahedra, and faces with four equivalent AsBr6 octahedra. All K–Br bond lengths are 4.08 Å. Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent AsBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.10 Å. As3+ is bonded to six equivalent Br1- atoms to form AsBr6 octahedra that share corners with six equivalent TlBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–Br bond lengths are 2.67 Å. Br1- is bonded in a linear geometry to four equivalent K1+, one Tl1+, and one As3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1111589
- 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; K2TlAsBr6; As-Br-K-Tl
- OSTI Identifier:
- 1691417
- DOI:
- https://doi.org/10.17188/1691417
Citation Formats
The Materials Project. Materials Data on K2TlAsBr6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1691417.
The Materials Project. Materials Data on K2TlAsBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1691417
The Materials Project. 2020.
"Materials Data on K2TlAsBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1691417. https://www.osti.gov/servlets/purl/1691417. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1691417,
title = {Materials Data on K2TlAsBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2TlAsBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form distorted KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent TlBr6 octahedra, and faces with four equivalent AsBr6 octahedra. All K–Br bond lengths are 4.08 Å. Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent AsBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.10 Å. As3+ is bonded to six equivalent Br1- atoms to form AsBr6 octahedra that share corners with six equivalent TlBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–Br bond lengths are 2.67 Å. Br1- is bonded in a linear geometry to four equivalent K1+, one Tl1+, and one As3+ atom.},
doi = {10.17188/1691417},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}