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Title: Materials Data on K3RhCl6 by Materials Project

Abstract

K3RhCl6 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 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.26–3.59 Å. In the second 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 3.08–3.78 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 3.17–3.50 Å. There are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.37 Å) and two longer (2.39 Å) Rh–Cl bond lengths. In the second Rh3+ site, Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. All Rh–Cl bond lengths are 2.38 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 Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to fivemore » K1+ and one Rh3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Rh3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Rh3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Rh3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Rh3+ atom.« less

Publication Date:
Other Number(s):
mp-28837
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; K3RhCl6; Cl-K-Rh
OSTI Identifier:
1202882
DOI:
10.17188/1202882

Citation Formats

The Materials Project. Materials Data on K3RhCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202882.
The Materials Project. Materials Data on K3RhCl6 by Materials Project. United States. doi:10.17188/1202882.
The Materials Project. 2020. "Materials Data on K3RhCl6 by Materials Project". United States. doi:10.17188/1202882. https://www.osti.gov/servlets/purl/1202882. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1202882,
title = {Materials Data on K3RhCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3RhCl6 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 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.26–3.59 Å. In the second 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 3.08–3.78 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 3.17–3.50 Å. There are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.37 Å) and two longer (2.39 Å) Rh–Cl bond lengths. In the second Rh3+ site, Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. All Rh–Cl bond lengths are 2.38 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 Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to five K1+ and one Rh3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Rh3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Rh3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Rh3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Rh3+ atom.},
doi = {10.17188/1202882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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