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Title: Materials Data on K17In41 by Materials Project

Abstract

K17In41 is gamma-brass-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to three equivalent K and twelve In atoms. All K–K bond lengths are 4.04 Å. There are a spread of K–In bond distances ranging from 3.49–3.80 Å. In the second K site, K is bonded in a 6-coordinate geometry to four K and twelve In atoms. There are two shorter (3.68 Å) and one longer (4.30 Å) K–K bond lengths. There are a spread of K–In bond distances ranging from 3.72–4.17 Å. In the third K site, K is bonded in a 12-coordinate geometry to twelve equivalent In atoms. All K–In bond lengths are 3.58 Å. There are five inequivalent In sites. In the first In site, In is bonded in a distorted q6 geometry to five K and six In atoms. There are a spread of In–In bond distances ranging from 2.96–3.15 Å. In the second In site, In is bonded in a 11-coordinate geometry to five K and six In atoms. There are a spread of In–In bond distances ranging from 3.07–3.47 Å. Inmore » the third In site, In is bonded in a 11-coordinate geometry to five K and six In atoms. Both In–In bond lengths are 3.24 Å. In the fourth In site, In is bonded in a tetrahedral geometry to four equivalent In atoms. All In–In bond lengths are 3.43 Å. In the fifth In site, In is bonded in a 4-coordinate geometry to six equivalent K and seven In atoms.« less

Publication Date:
Other Number(s):
mp-640781
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; K17In41; In-K
OSTI Identifier:
1279966
DOI:
https://doi.org/10.17188/1279966

Citation Formats

The Materials Project. Materials Data on K17In41 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279966.
The Materials Project. Materials Data on K17In41 by Materials Project. United States. doi:https://doi.org/10.17188/1279966
The Materials Project. 2020. "Materials Data on K17In41 by Materials Project". United States. doi:https://doi.org/10.17188/1279966. https://www.osti.gov/servlets/purl/1279966. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1279966,
title = {Materials Data on K17In41 by Materials Project},
author = {The Materials Project},
abstractNote = {K17In41 is gamma-brass-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to three equivalent K and twelve In atoms. All K–K bond lengths are 4.04 Å. There are a spread of K–In bond distances ranging from 3.49–3.80 Å. In the second K site, K is bonded in a 6-coordinate geometry to four K and twelve In atoms. There are two shorter (3.68 Å) and one longer (4.30 Å) K–K bond lengths. There are a spread of K–In bond distances ranging from 3.72–4.17 Å. In the third K site, K is bonded in a 12-coordinate geometry to twelve equivalent In atoms. All K–In bond lengths are 3.58 Å. There are five inequivalent In sites. In the first In site, In is bonded in a distorted q6 geometry to five K and six In atoms. There are a spread of In–In bond distances ranging from 2.96–3.15 Å. In the second In site, In is bonded in a 11-coordinate geometry to five K and six In atoms. There are a spread of In–In bond distances ranging from 3.07–3.47 Å. In the third In site, In is bonded in a 11-coordinate geometry to five K and six In atoms. Both In–In bond lengths are 3.24 Å. In the fourth In site, In is bonded in a tetrahedral geometry to four equivalent In atoms. All In–In bond lengths are 3.43 Å. In the fifth In site, In is bonded in a 4-coordinate geometry to six equivalent K and seven In atoms.},
doi = {10.17188/1279966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}