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Title: Materials Data on TcC5IO5 by Materials Project

Abstract

TcC5O5I is alpha U structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four TcC5O5I clusters. Tc1- is bonded in a distorted square pyramidal geometry to five C+2.40+ and one I1- atom. There is one shorter (1.94 Å) and four longer (2.01 Å) Tc–C bond length. The Tc–I bond length is 2.86 Å. There are two inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. I1- is bonded in a single-bond geometry to one Tc1- atom.

Publication Date:
Other Number(s):
mp-1190985
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; TcC5IO5; C-I-O-Tc
OSTI Identifier:
1752602
DOI:
https://doi.org/10.17188/1752602

Citation Formats

The Materials Project. Materials Data on TcC5IO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752602.
The Materials Project. Materials Data on TcC5IO5 by Materials Project. United States. doi:https://doi.org/10.17188/1752602
The Materials Project. 2020. "Materials Data on TcC5IO5 by Materials Project". United States. doi:https://doi.org/10.17188/1752602. https://www.osti.gov/servlets/purl/1752602. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1752602,
title = {Materials Data on TcC5IO5 by Materials Project},
author = {The Materials Project},
abstractNote = {TcC5O5I is alpha U structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four TcC5O5I clusters. Tc1- is bonded in a distorted square pyramidal geometry to five C+2.40+ and one I1- atom. There is one shorter (1.94 Å) and four longer (2.01 Å) Tc–C bond length. The Tc–I bond length is 2.86 Å. There are two inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. I1- is bonded in a single-bond geometry to one Tc1- atom.},
doi = {10.17188/1752602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}