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Title: Materials Data on KGeBr3 by Materials Project

Abstract

KGeBr3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded to seven Br1- atoms to form distorted edge-sharing KBr7 hexagonal pyramids. There are a spread of K–Br bond distances ranging from 3.40–3.56 Å. Ge2+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are one shorter (2.53 Å) and two longer (2.54 Å) Ge–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent K1+ and one Ge2+ atom to form a mixture of distorted edge and corner-sharing BrK3Ge tetrahedra. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to one K1+ and one Ge2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-998612
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; KGeBr3; Br-Ge-K
OSTI Identifier:
1317370
DOI:
https://doi.org/10.17188/1317370

Citation Formats

The Materials Project. Materials Data on KGeBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317370.
The Materials Project. Materials Data on KGeBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1317370
The Materials Project. 2020. "Materials Data on KGeBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1317370. https://www.osti.gov/servlets/purl/1317370. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1317370,
title = {Materials Data on KGeBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {KGeBr3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded to seven Br1- atoms to form distorted edge-sharing KBr7 hexagonal pyramids. There are a spread of K–Br bond distances ranging from 3.40–3.56 Å. Ge2+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are one shorter (2.53 Å) and two longer (2.54 Å) Ge–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent K1+ and one Ge2+ atom to form a mixture of distorted edge and corner-sharing BrK3Ge tetrahedra. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to one K1+ and one Ge2+ atom.},
doi = {10.17188/1317370},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}