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Title: Materials Data on InRe2C10ClO10 by Materials Project

Abstract

(Re)2InCl(CO)10 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eighty formaldehyde molecules, sixteen rhenium molecules, and four InCl clusters. In each InCl cluster, there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in an L-shaped geometry to two Cl1- atoms. There are one shorter (2.64 Å) and one longer (2.65 Å) In–Cl bond lengths. In the second In3+ site, In3+ is bonded in an L-shaped geometry to two Cl1- atoms. Both In–Cl bond lengths are 2.63 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two In3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two In3+ atoms.

Publication Date:
Other Number(s):
mp-651806
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; InRe2C10ClO10; C-Cl-In-O-Re
OSTI Identifier:
1281102
DOI:
10.17188/1281102

Citation Formats

The Materials Project. Materials Data on InRe2C10ClO10 by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1281102.
The Materials Project. Materials Data on InRe2C10ClO10 by Materials Project. United States. doi:10.17188/1281102.
The Materials Project. 2016. "Materials Data on InRe2C10ClO10 by Materials Project". United States. doi:10.17188/1281102. https://www.osti.gov/servlets/purl/1281102. Pub date:Wed Aug 03 00:00:00 EDT 2016
@article{osti_1281102,
title = {Materials Data on InRe2C10ClO10 by Materials Project},
author = {The Materials Project},
abstractNote = {(Re)2InCl(CO)10 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eighty formaldehyde molecules, sixteen rhenium molecules, and four InCl clusters. In each InCl cluster, there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in an L-shaped geometry to two Cl1- atoms. There are one shorter (2.64 Å) and one longer (2.65 Å) In–Cl bond lengths. In the second In3+ site, In3+ is bonded in an L-shaped geometry to two Cl1- atoms. Both In–Cl bond lengths are 2.63 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two In3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two In3+ atoms.},
doi = {10.17188/1281102},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {8}
}

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