Materials Data on ReCl3O2 by Materials Project

doi:10.17188/1277559

Title: Materials Data on ReCl3O2 by Materials Project

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Abstract

ReO2Cl3 is Tungsten structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two ReO2Cl3 clusters. Re7+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Re–O bond lengths are 1.71 Å. There are two shorter (2.29 Å) and two longer (2.62 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re7+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Re7+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-607436

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; ReCl3O2; Cl-O-Re

OSTI Identifier:: 1277559

DOI:: https://doi.org/10.17188/1277559

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                    The Materials Project. Materials Data on ReCl3O2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277559.

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                    The Materials Project. Materials Data on ReCl3O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277559

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                    The Materials Project. 2020.  
"Materials Data on ReCl3O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277559.  https://www.osti.gov/servlets/purl/1277559. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1277559,

  title        = {Materials Data on ReCl3O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReO2Cl3 is Tungsten structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two ReO2Cl3 clusters. Re7+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Re–O bond lengths are 1.71 Å. There are two shorter (2.29 Å) and two longer (2.62 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re7+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Re7+ atoms.},

  doi          = {10.17188/1277559},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1277559

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