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Title: Materials Data on K3(InAu)8 by Materials Project

Abstract

K3(AuIn)8 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to two equivalent K, eight Au, and six In atoms. There are one shorter (2.94 Å) and one longer (2.95 Å) K–K bond lengths. There are a spread of K–Au bond distances ranging from 3.48–4.07 Å. There are a spread of K–In bond distances ranging from 3.72–4.02 Å. In the second K site, K is bonded in a 2-coordinate geometry to eight Au and six In atoms. There are a spread of K–Au bond distances ranging from 3.50–4.08 Å. There are a spread of K–In bond distances ranging from 3.70–4.02 Å. In the third K site, K is bonded in a 12-coordinate geometry to two equivalent K, eight Au, and six In atoms. There are a spread of K–Au bond distances ranging from 3.47–4.07 Å. There are a spread of K–In bond distances ranging from 3.71–4.04 Å. There are twelve inequivalent Au sites. In the first Au site, Au is bonded in a 5-coordinate geometry to three K, one Au, and five In atoms. The Au–Au bond length is 2.88more » Å. There are a spread of Au–In bond distances ranging from 2.79–3.02 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to two equivalent K, one Au, and five In atoms. The Au–Au bond length is 2.84 Å. There are a spread of Au–In bond distances ranging from 2.79–3.05 Å. In the third Au site, Au is bonded in a 5-coordinate geometry to four K, one Au, and five In atoms. The Au–Au bond length is 2.88 Å. There are a spread of Au–In bond distances ranging from 2.80–3.03 Å. In the fourth Au site, Au is bonded in a 9-coordinate geometry to three K, one Au, and five In atoms. The Au–Au bond length is 2.87 Å. There are a spread of Au–In bond distances ranging from 2.79–3.05 Å. In the fifth Au site, Au is bonded in a 5-coordinate geometry to two equivalent K, one Au, and five In atoms. The Au–Au bond length is 2.84 Å. There are a spread of Au–In bond distances ranging from 2.79–3.02 Å. In the sixth Au site, Au is bonded in a 5-coordinate geometry to four K, one Au, and five In atoms. The Au–Au bond length is 2.88 Å. There are a spread of Au–In bond distances ranging from 2.79–3.04 Å. In the seventh Au site, Au is bonded in a 6-coordinate geometry to three K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.06 Å. In the eighth Au site, Au is bonded in a 7-coordinate geometry to four K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.76–3.07 Å. In the ninth Au site, Au is bonded in a 7-coordinate geometry to two equivalent K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.08 Å. In the tenth Au site, Au is bonded in a 7-coordinate geometry to three K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.08 Å. In the eleventh Au site, Au is bonded in a 7-coordinate geometry to four K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.07 Å. In the twelfth Au site, Au is bonded in a 5-coordinate geometry to two equivalent K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.76–3.06 Å. There are twelve inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to three K and five Au atoms. In the second In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the third In site, In is bonded in a 5-coordinate geometry to four K and five Au atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to three K and five Au atoms. In the fifth In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the sixth In site, In is bonded in a 5-coordinate geometry to four K and five Au atoms. In the seventh In site, In is bonded in a 5-coordinate geometry to two K and five Au atoms. In the eighth In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the ninth In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the tenth In site, In is bonded in a 5-coordinate geometry to one K and five Au atoms. In the eleventh In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the twelfth In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1225487
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; K3(InAu)8; Au-In-K
OSTI Identifier:
1680703
DOI:
https://doi.org/10.17188/1680703

Citation Formats

The Materials Project. Materials Data on K3(InAu)8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680703.
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The Materials Project. Materials Data on K3(InAu)8 by Materials Project. United States. doi:https://doi.org/10.17188/1680703
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The Materials Project. 2019. "Materials Data on K3(InAu)8 by Materials Project". United States. doi:https://doi.org/10.17188/1680703. https://www.osti.gov/servlets/purl/1680703. Pub date:Sun Jan 13 00:00:00 EST 2019
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@article{osti_1680703,
title = {Materials Data on K3(InAu)8 by Materials Project},
author = {The Materials Project},
abstractNote = {K3(AuIn)8 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to two equivalent K, eight Au, and six In atoms. There are one shorter (2.94 Å) and one longer (2.95 Å) K–K bond lengths. There are a spread of K–Au bond distances ranging from 3.48–4.07 Å. There are a spread of K–In bond distances ranging from 3.72–4.02 Å. In the second K site, K is bonded in a 2-coordinate geometry to eight Au and six In atoms. There are a spread of K–Au bond distances ranging from 3.50–4.08 Å. There are a spread of K–In bond distances ranging from 3.70–4.02 Å. In the third K site, K is bonded in a 12-coordinate geometry to two equivalent K, eight Au, and six In atoms. There are a spread of K–Au bond distances ranging from 3.47–4.07 Å. There are a spread of K–In bond distances ranging from 3.71–4.04 Å. There are twelve inequivalent Au sites. In the first Au site, Au is bonded in a 5-coordinate geometry to three K, one Au, and five In atoms. The Au–Au bond length is 2.88 Å. There are a spread of Au–In bond distances ranging from 2.79–3.02 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to two equivalent K, one Au, and five In atoms. The Au–Au bond length is 2.84 Å. There are a spread of Au–In bond distances ranging from 2.79–3.05 Å. In the third Au site, Au is bonded in a 5-coordinate geometry to four K, one Au, and five In atoms. The Au–Au bond length is 2.88 Å. There are a spread of Au–In bond distances ranging from 2.80–3.03 Å. In the fourth Au site, Au is bonded in a 9-coordinate geometry to three K, one Au, and five In atoms. The Au–Au bond length is 2.87 Å. There are a spread of Au–In bond distances ranging from 2.79–3.05 Å. In the fifth Au site, Au is bonded in a 5-coordinate geometry to two equivalent K, one Au, and five In atoms. The Au–Au bond length is 2.84 Å. There are a spread of Au–In bond distances ranging from 2.79–3.02 Å. In the sixth Au site, Au is bonded in a 5-coordinate geometry to four K, one Au, and five In atoms. The Au–Au bond length is 2.88 Å. There are a spread of Au–In bond distances ranging from 2.79–3.04 Å. In the seventh Au site, Au is bonded in a 6-coordinate geometry to three K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.06 Å. In the eighth Au site, Au is bonded in a 7-coordinate geometry to four K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.76–3.07 Å. In the ninth Au site, Au is bonded in a 7-coordinate geometry to two equivalent K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.08 Å. In the tenth Au site, Au is bonded in a 7-coordinate geometry to three K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.08 Å. In the eleventh Au site, Au is bonded in a 7-coordinate geometry to four K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–3.07 Å. In the twelfth Au site, Au is bonded in a 5-coordinate geometry to two equivalent K, one Au, and five In atoms. There are a spread of Au–In bond distances ranging from 2.76–3.06 Å. There are twelve inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to three K and five Au atoms. In the second In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the third In site, In is bonded in a 5-coordinate geometry to four K and five Au atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to three K and five Au atoms. In the fifth In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the sixth In site, In is bonded in a 5-coordinate geometry to four K and five Au atoms. In the seventh In site, In is bonded in a 5-coordinate geometry to two K and five Au atoms. In the eighth In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the ninth In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the tenth In site, In is bonded in a 5-coordinate geometry to one K and five Au atoms. In the eleventh In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms. In the twelfth In site, In is bonded in a 5-coordinate geometry to two equivalent K and five Au atoms.},
doi = {10.17188/1680703},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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DOI: https://doi.org/10.17188/1680703
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