Materials Data on InRe2C10ClO10 by Materials Project

doi:10.17188/1281102

Title: Materials Data on InRe2C10ClO10 by Materials Project

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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.

Authors:: The Materials Project

Publication Date:: Wed Aug 03 00:00:00 EDT 2016

Other Number(s):: mp-651806

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; InRe2C10ClO10; C-Cl-In-O-Re

OSTI Identifier:: 1281102

DOI:: https://doi.org/10.17188/1281102

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                    The Materials Project. Materials Data on InRe2C10ClO10 by Materials Project.  United States: N. p., 2016. 
        Web.  doi:10.17188/1281102.

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                    The Materials Project. Materials Data on InRe2C10ClO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281102

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                    The Materials Project. 2016.  
"Materials Data on InRe2C10ClO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281102.  https://www.osti.gov/servlets/purl/1281102. Pub date:Wed Aug 03 00:00:00 EDT 2016

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@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         = {Wed Aug 03 00:00:00 EDT 2016},

  month        = {Wed Aug 03 00:00:00 EDT 2016}

}

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DOI: https://doi.org/10.17188/1281102

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