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Title: Materials Data on K3InCl6 by Materials Project

Abstract

K3InCl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.24–3.82 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.06–3.64 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.51–2.61 Å. In the second In3+ site, In3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.53–2.59 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one In3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinatemore » geometry to four K1+ and one In3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one In3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one In3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one In3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four K1+ and one In3+ atom.« less

Publication Date:
Other Number(s):
mp-569132
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; K3InCl6; Cl-In-K
OSTI Identifier:
1274951
DOI:
https://doi.org/10.17188/1274951

Citation Formats

The Materials Project. Materials Data on K3InCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274951.
The Materials Project. Materials Data on K3InCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1274951
The Materials Project. 2020. "Materials Data on K3InCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1274951. https://www.osti.gov/servlets/purl/1274951. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1274951,
title = {Materials Data on K3InCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3InCl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.24–3.82 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.06–3.64 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.51–2.61 Å. In the second In3+ site, In3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.53–2.59 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one In3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one In3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one In3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one In3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one In3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four K1+ and one In3+ atom.},
doi = {10.17188/1274951},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}