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Title: Materials Data on KSbC6Br5 by Materials Project

Abstract

KSbBr5(C)6 crystallizes in the orthorhombic P2_12_12 space group. The structure is two-dimensional and consists of two benzene molecules and one KSbBr5 sheet oriented in the (0, 0, 1) direction. In the KSbBr5 sheet, K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.46–3.75 Å. Sb3+ is bonded in a square pyramidal geometry to five Br1- atoms. There are a spread of Sb–Br bond distances ranging from 2.61–2.69 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent K1+ and one Sb3+ atom to form a mixture of distorted edge and corner-sharing BrK4Sb square pyramids. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to one K1+ and one Sb3+ atom. In the third Br1- site, Br1- is bonded in a distorted water-like geometry to one K1+ and one Sb3+ atom.

Publication Date:
Other Number(s):
mp-1193058
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; KSbC6Br5; Br-C-K-Sb
OSTI Identifier:
1752876
DOI:
https://doi.org/10.17188/1752876

Citation Formats

The Materials Project. Materials Data on KSbC6Br5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752876.
The Materials Project. Materials Data on KSbC6Br5 by Materials Project. United States. doi:https://doi.org/10.17188/1752876
The Materials Project. 2020. "Materials Data on KSbC6Br5 by Materials Project". United States. doi:https://doi.org/10.17188/1752876. https://www.osti.gov/servlets/purl/1752876. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1752876,
title = {Materials Data on KSbC6Br5 by Materials Project},
author = {The Materials Project},
abstractNote = {KSbBr5(C)6 crystallizes in the orthorhombic P2_12_12 space group. The structure is two-dimensional and consists of two benzene molecules and one KSbBr5 sheet oriented in the (0, 0, 1) direction. In the KSbBr5 sheet, K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.46–3.75 Å. Sb3+ is bonded in a square pyramidal geometry to five Br1- atoms. There are a spread of Sb–Br bond distances ranging from 2.61–2.69 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent K1+ and one Sb3+ atom to form a mixture of distorted edge and corner-sharing BrK4Sb square pyramids. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to one K1+ and one Sb3+ atom. In the third Br1- site, Br1- is bonded in a distorted water-like geometry to one K1+ and one Sb3+ atom.},
doi = {10.17188/1752876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}