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Title: Materials Data on K4In3Ge20 by Materials Project

Abstract

K4In3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to four equivalent In and eight equivalent Ge atoms. All K–In bond lengths are 3.95 Å. All K–Ge bond lengths are 3.80 Å. In the second K site, K is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.55 Å) and twelve longer (3.58 Å) K–Ge bond lengths. In is bonded to four equivalent K and four equivalent Ge atoms to form a mixture of edge and corner-sharing InK4Ge4 tetrahedra. All In–Ge bond lengths are 2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one K and four Ge atoms. There are three shorter (2.54 Å) and one longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to three K, one In, and three Ge atoms. The Ge–Ge bond length is 2.56 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-640312
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; K4In3Ge20; Ge-In-K
OSTI Identifier:
1279917
DOI:
10.17188/1279917

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K4In3Ge20 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279917.
Persson, Kristin, & Project, Materials. Materials Data on K4In3Ge20 by Materials Project. United States. doi:10.17188/1279917.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K4In3Ge20 by Materials Project". United States. doi:10.17188/1279917. https://www.osti.gov/servlets/purl/1279917. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1279917,
title = {Materials Data on K4In3Ge20 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K4In3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to four equivalent In and eight equivalent Ge atoms. All K–In bond lengths are 3.95 Å. All K–Ge bond lengths are 3.80 Å. In the second K site, K is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.55 Å) and twelve longer (3.58 Å) K–Ge bond lengths. In is bonded to four equivalent K and four equivalent Ge atoms to form a mixture of edge and corner-sharing InK4Ge4 tetrahedra. All In–Ge bond lengths are 2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one K and four Ge atoms. There are three shorter (2.54 Å) and one longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to three K, one In, and three Ge atoms. The Ge–Ge bond length is 2.56 Å.},
doi = {10.17188/1279917},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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