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Title: Materials Data on ReC2(IO)2 by Materials Project

Abstract

ReC2(OI)2 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three ReC2(OI)2 clusters. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to three equivalent C and three equivalent I1- atoms to form distorted face-sharing ReC3I3 octahedra. All Re–C bond lengths are 1.91 Å. All Re–I bond lengths are 2.85 Å. In the second Re6+ site, Re6+ is bonded to six equivalent I1- atoms to form face-sharing ReI6 octahedra. All Re–I bond lengths are 2.74 Å. C is bonded in a linear geometry to one Re6+ and one O2- atom. The C–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one C atom. I1- is bonded in a distorted L-shaped geometry to two Re6+ atoms.

Publication Date:
Other Number(s):
mp-572674
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; ReC2(IO)2; C-I-O-Re
OSTI Identifier:
1276423
DOI:
10.17188/1276423

Citation Formats

The Materials Project. Materials Data on ReC2(IO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276423.
The Materials Project. Materials Data on ReC2(IO)2 by Materials Project. United States. doi:10.17188/1276423.
The Materials Project. 2020. "Materials Data on ReC2(IO)2 by Materials Project". United States. doi:10.17188/1276423. https://www.osti.gov/servlets/purl/1276423. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1276423,
title = {Materials Data on ReC2(IO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReC2(OI)2 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three ReC2(OI)2 clusters. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to three equivalent C and three equivalent I1- atoms to form distorted face-sharing ReC3I3 octahedra. All Re–C bond lengths are 1.91 Å. All Re–I bond lengths are 2.85 Å. In the second Re6+ site, Re6+ is bonded to six equivalent I1- atoms to form face-sharing ReI6 octahedra. All Re–I bond lengths are 2.74 Å. C is bonded in a linear geometry to one Re6+ and one O2- atom. The C–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one C atom. I1- is bonded in a distorted L-shaped geometry to two Re6+ atoms.},
doi = {10.17188/1276423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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