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Title: Materials Data on K2ScInBr6 by Materials Project

Abstract

K2ScInBr6 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 ScBr6 octahedra, and faces with four equivalent InBr6 octahedra. All K–Br bond lengths are 4.10 Å. Sc3+ is bonded to six equivalent Br1- atoms to form ScBr6 octahedra that share corners with six equivalent InBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Br bond lengths are 2.66 Å. In1+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent ScBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 3.13 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Sc3+, and one In1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1112015
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; K2ScInBr6; Br-In-K-Sc
OSTI Identifier:
1688277
DOI:
https://doi.org/10.17188/1688277

Citation Formats

The Materials Project. Materials Data on K2ScInBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688277.
The Materials Project. Materials Data on K2ScInBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1688277
The Materials Project. 2020. "Materials Data on K2ScInBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1688277. https://www.osti.gov/servlets/purl/1688277. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1688277,
title = {Materials Data on K2ScInBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2ScInBr6 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 ScBr6 octahedra, and faces with four equivalent InBr6 octahedra. All K–Br bond lengths are 4.10 Å. Sc3+ is bonded to six equivalent Br1- atoms to form ScBr6 octahedra that share corners with six equivalent InBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Br bond lengths are 2.66 Å. In1+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent ScBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 3.13 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Sc3+, and one In1+ atom.},
doi = {10.17188/1688277},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}