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Title: Materials Data on K3(TcCl4)2 by Materials Project

Abstract

K3(TcCl4)2 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.17–3.83 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.22–3.32 Å. Tc+2.50+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of Tc–Cl bond distances ranging from 2.34–2.41 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Tc+2.50+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Tc+2.50+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Tc+2.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Tc+2.50+ atom.

Publication Date:
Other Number(s):
mp-1202554
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; K3(TcCl4)2; Cl-K-Tc
OSTI Identifier:
1725119
DOI:
https://doi.org/10.17188/1725119

Citation Formats

The Materials Project. Materials Data on K3(TcCl4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1725119.
The Materials Project. Materials Data on K3(TcCl4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1725119
The Materials Project. 2019. "Materials Data on K3(TcCl4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1725119. https://www.osti.gov/servlets/purl/1725119. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1725119,
title = {Materials Data on K3(TcCl4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K3(TcCl4)2 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.17–3.83 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.22–3.32 Å. Tc+2.50+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of Tc–Cl bond distances ranging from 2.34–2.41 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Tc+2.50+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Tc+2.50+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Tc+2.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Tc+2.50+ atom.},
doi = {10.17188/1725119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}