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Title: Materials Data on K2AlTlBr6 by Materials Project

Abstract

K2TlAlBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form 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 AlBr6 octahedra. All K–Br bond lengths are 4.02 Å. Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent AlBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.15 Å. Al3+ is bonded to six equivalent Br1- atoms to form AlBr6 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 Al–Br bond lengths are 2.53 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Tl1+, and one Al3+ atom.

Publication Date:
Other Number(s):
mp-1111591
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2AlTlBr6; Al-Br-K-Tl
OSTI Identifier:
1662434
DOI:
https://doi.org/10.17188/1662434

Citation Formats

The Materials Project. Materials Data on K2AlTlBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662434.
The Materials Project. Materials Data on K2AlTlBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1662434
The Materials Project. 2020. "Materials Data on K2AlTlBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1662434. https://www.osti.gov/servlets/purl/1662434. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1662434,
title = {Materials Data on K2AlTlBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2TlAlBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form 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 AlBr6 octahedra. All K–Br bond lengths are 4.02 Å. Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent AlBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.15 Å. Al3+ is bonded to six equivalent Br1- atoms to form AlBr6 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 Al–Br bond lengths are 2.53 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Tl1+, and one Al3+ atom.},
doi = {10.17188/1662434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}