Materials Data on Re2Cl5O4 by Materials Project

doi:10.17188/1717523

Title: Materials Data on Re2Cl5O4 by Materials Project

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Abstract

ReO3ClReOCl4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ReO3Cl cluster and one ReOCl4 cluster. In the ReO3Cl cluster, Re+6.50+ is bonded in a tetrahedral geometry to three O2- and one Cl1- atom. There is two shorter (1.72 Å) and one longer (1.74 Å) Re–O bond length. The Re–Cl bond length is 2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the ReOCl4 cluster, Re+6.50+ is bonded in a 5-coordinate geometry to one O2- and four Cl1- atoms. The Re–O bond length is 1.69 Å. There are two shorter (2.29 Å) and two longer (2.30 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re+6.50+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In themore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-1102176

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; Re2Cl5O4; Cl-O-Re

OSTI Identifier:: 1717523

DOI:: https://doi.org/10.17188/1717523

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                    The Materials Project. Materials Data on Re2Cl5O4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1717523.

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                    The Materials Project. Materials Data on Re2Cl5O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717523

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                    The Materials Project. 2018.  
"Materials Data on Re2Cl5O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717523.  https://www.osti.gov/servlets/purl/1717523. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1717523,

  title        = {Materials Data on Re2Cl5O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReO3ClReOCl4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ReO3Cl cluster and one ReOCl4 cluster. In the ReO3Cl cluster, Re+6.50+ is bonded in a tetrahedral geometry to three O2- and one Cl1- atom. There is two shorter (1.72 Å) and one longer (1.74 Å) Re–O bond length. The Re–Cl bond length is 2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the ReOCl4 cluster, Re+6.50+ is bonded in a 5-coordinate geometry to one O2- and four Cl1- atoms. The Re–O bond length is 1.69 Å. There are two shorter (2.29 Å) and two longer (2.30 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re+6.50+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom.},

  doi          = {10.17188/1717523},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1717523

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