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Title: Materials Data on ReC4IO4 by Materials Project

Abstract

ReI(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 ReI clusters. In each ReI cluster, there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.87 Å) and one longer (2.88 Å) Re–I bond lengths. In the second Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Re–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two Re3+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two Re3+ atoms.

Publication Date:
Other Number(s):
mp-621953
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; ReC4IO4; C-I-O-Re
OSTI Identifier:
1278075
DOI:
10.17188/1278075

Citation Formats

The Materials Project. Materials Data on ReC4IO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278075.
The Materials Project. Materials Data on ReC4IO4 by Materials Project. United States. doi:10.17188/1278075.
The Materials Project. 2020. "Materials Data on ReC4IO4 by Materials Project". United States. doi:10.17188/1278075. https://www.osti.gov/servlets/purl/1278075. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1278075,
title = {Materials Data on ReC4IO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ReI(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 ReI clusters. In each ReI cluster, there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.87 Å) and one longer (2.88 Å) Re–I bond lengths. In the second Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Re–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two Re3+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two Re3+ atoms.},
doi = {10.17188/1278075},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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