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Title: Materials Data on TcC4IO4 by Materials Project

Abstract

TcI(CO)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-two formaldehyde molecules and four TcI clusters. In each TcI cluster, there are two inequivalent Tc1+ sites. In the first Tc1+ site, Tc1+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.84 Å) and one longer (2.85 Å) Tc–I bond lengths. In the second Tc1+ site, Tc1+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Tc–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to two Tc1+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two Tc1+ atoms.

Publication Date:
Other Number(s):
mp-662721
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; TcC4IO4; C-I-O-Tc
OSTI Identifier:
1281436
DOI:
https://doi.org/10.17188/1281436

Citation Formats

The Materials Project. Materials Data on TcC4IO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281436.
The Materials Project. Materials Data on TcC4IO4 by Materials Project. United States. doi:https://doi.org/10.17188/1281436
The Materials Project. 2020. "Materials Data on TcC4IO4 by Materials Project". United States. doi:https://doi.org/10.17188/1281436. https://www.osti.gov/servlets/purl/1281436. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281436,
title = {Materials Data on TcC4IO4 by Materials Project},
author = {The Materials Project},
abstractNote = {TcI(CO)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-two formaldehyde molecules and four TcI clusters. In each TcI cluster, there are two inequivalent Tc1+ sites. In the first Tc1+ site, Tc1+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.84 Å) and one longer (2.85 Å) Tc–I bond lengths. In the second Tc1+ site, Tc1+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Tc–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to two Tc1+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two Tc1+ atoms.},
doi = {10.17188/1281436},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}