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Title: Materials Data on K4In9Si14 by Materials Project

Abstract

K4In9Si14 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Si+1.14- atoms. There are a spread of K–Si bond distances ranging from 3.62–3.66 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Si+1.14- atoms. There are six shorter (3.61 Å) and two longer (3.63 Å) K–Si bond lengths. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Si+1.14- atoms. There are six shorter (3.62 Å) and two longer (3.63 Å) K–Si bond lengths. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to three Si+1.14- atoms. There are two shorter (3.64 Å) and one longer (3.72 Å) K–Si bond lengths. There are five inequivalent In+1.33+ sites. In the first In+1.33+ site, In+1.33+ is bonded in a tetrahedral geometry to four Si+1.14- atoms. All In–Si bond lengths are 2.67 Å. In the second In+1.33+ site, In+1.33+ is bonded in a trigonal non-coplanar geometry to three Si+1.14- atoms. There are two shorter (2.66 Å) and one longer (2.70 Å) In–Si bond lengths. In the third In+1.33+more » site, In+1.33+ is bonded in a trigonal non-coplanar geometry to three Si+1.14- atoms. There are a spread of In–Si bond distances ranging from 2.66–2.69 Å. In the fourth In+1.33+ site, In+1.33+ is bonded in a trigonal non-coplanar geometry to three Si+1.14- atoms. There are two shorter (2.67 Å) and one longer (2.69 Å) In–Si bond lengths. In the fifth In+1.33+ site, In+1.33+ is bonded in a trigonal non-coplanar geometry to three Si+1.14- atoms. There are a spread of In–Si bond distances ranging from 2.65–2.72 Å. There are ten inequivalent Si+1.14- sites. In the first Si+1.14- site, Si+1.14- is bonded in a tetrahedral geometry to four Si+1.14- atoms. All Si–Si bond lengths are 2.46 Å. In the second Si+1.14- site, Si+1.14- is bonded in a tetrahedral geometry to four Si+1.14- atoms. All Si–Si bond lengths are 2.47 Å. In the third Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two K1+, two In+1.33+, and two Si+1.14- atoms. The Si–Si bond length is 2.42 Å. In the fourth Si+1.14- site, Si+1.14- is bonded in a 7-coordinate geometry to three K1+, three In+1.33+, and one Si+1.14- atom. The Si–Si bond length is 2.40 Å. In the fifth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two equivalent K1+, three In+1.33+, and one Si+1.14- atom. The Si–Si bond length is 2.40 Å. In the sixth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two K1+, two In+1.33+, and two Si+1.14- atoms. The Si–Si bond length is 2.43 Å. In the seventh Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two K1+, two In+1.33+, and two Si+1.14- atoms. In the eighth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to three K1+, three In+1.33+, and one Si+1.14- atom. The Si–Si bond length is 2.41 Å. In the ninth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent In+1.33+, and two Si+1.14- atoms. In the tenth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent In+1.33+, and two Si+1.14- atoms.« less

Publication Date:
Other Number(s):
mp-1225988
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; K4In9Si14; In-K-Si
OSTI Identifier:
1744361
DOI:
https://doi.org/10.17188/1744361

Citation Formats

The Materials Project. Materials Data on K4In9Si14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744361.
The Materials Project. Materials Data on K4In9Si14 by Materials Project. United States. doi:https://doi.org/10.17188/1744361
The Materials Project. 2020. "Materials Data on K4In9Si14 by Materials Project". United States. doi:https://doi.org/10.17188/1744361. https://www.osti.gov/servlets/purl/1744361. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744361,
title = {Materials Data on K4In9Si14 by Materials Project},
author = {The Materials Project},
abstractNote = {K4In9Si14 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Si+1.14- atoms. There are a spread of K–Si bond distances ranging from 3.62–3.66 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Si+1.14- atoms. There are six shorter (3.61 Å) and two longer (3.63 Å) K–Si bond lengths. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Si+1.14- atoms. There are six shorter (3.62 Å) and two longer (3.63 Å) K–Si bond lengths. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to three Si+1.14- atoms. There are two shorter (3.64 Å) and one longer (3.72 Å) K–Si bond lengths. There are five inequivalent In+1.33+ sites. In the first In+1.33+ site, In+1.33+ is bonded in a tetrahedral geometry to four Si+1.14- atoms. All In–Si bond lengths are 2.67 Å. In the second In+1.33+ site, In+1.33+ is bonded in a trigonal non-coplanar geometry to three Si+1.14- atoms. There are two shorter (2.66 Å) and one longer (2.70 Å) In–Si bond lengths. In the third In+1.33+ site, In+1.33+ is bonded in a trigonal non-coplanar geometry to three Si+1.14- atoms. There are a spread of In–Si bond distances ranging from 2.66–2.69 Å. In the fourth In+1.33+ site, In+1.33+ is bonded in a trigonal non-coplanar geometry to three Si+1.14- atoms. There are two shorter (2.67 Å) and one longer (2.69 Å) In–Si bond lengths. In the fifth In+1.33+ site, In+1.33+ is bonded in a trigonal non-coplanar geometry to three Si+1.14- atoms. There are a spread of In–Si bond distances ranging from 2.65–2.72 Å. There are ten inequivalent Si+1.14- sites. In the first Si+1.14- site, Si+1.14- is bonded in a tetrahedral geometry to four Si+1.14- atoms. All Si–Si bond lengths are 2.46 Å. In the second Si+1.14- site, Si+1.14- is bonded in a tetrahedral geometry to four Si+1.14- atoms. All Si–Si bond lengths are 2.47 Å. In the third Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two K1+, two In+1.33+, and two Si+1.14- atoms. The Si–Si bond length is 2.42 Å. In the fourth Si+1.14- site, Si+1.14- is bonded in a 7-coordinate geometry to three K1+, three In+1.33+, and one Si+1.14- atom. The Si–Si bond length is 2.40 Å. In the fifth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two equivalent K1+, three In+1.33+, and one Si+1.14- atom. The Si–Si bond length is 2.40 Å. In the sixth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two K1+, two In+1.33+, and two Si+1.14- atoms. The Si–Si bond length is 2.43 Å. In the seventh Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two K1+, two In+1.33+, and two Si+1.14- atoms. In the eighth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to three K1+, three In+1.33+, and one Si+1.14- atom. The Si–Si bond length is 2.41 Å. In the ninth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent In+1.33+, and two Si+1.14- atoms. In the tenth Si+1.14- site, Si+1.14- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent In+1.33+, and two Si+1.14- atoms.},
doi = {10.17188/1744361},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}