Materials Data on ReH2NCl4O by Materials Project

doi:10.17188/1726884

Title: Materials Data on ReH2NCl4O by Materials Project

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Abstract

ReNH2OCl4 is beta Sn-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ReNH2OCl4 clusters. Re7+ is bonded in a distorted octahedral geometry to one N3-, one O2-, and four Cl1- atoms. The Re–N bond length is 1.68 Å. The Re–O bond length is 2.48 Å. There are two shorter (2.31 Å) and two longer (2.33 Å) Re–Cl bond lengths. N3- is bonded in a single-bond geometry to one Re7+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one Re7+ and two equivalent H1+ atoms. There are two 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.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1203672

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; ReH2NCl4O; Cl-H-N-O-Re

OSTI Identifier:: 1726884

DOI:: https://doi.org/10.17188/1726884

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                    The Materials Project. Materials Data on ReH2NCl4O by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1726884.

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                    The Materials Project. Materials Data on ReH2NCl4O by Materials Project.  United States.  doi:https://doi.org/10.17188/1726884

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                    The Materials Project. 2019.  
"Materials Data on ReH2NCl4O by Materials Project".  United States.  doi:https://doi.org/10.17188/1726884.  https://www.osti.gov/servlets/purl/1726884. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1726884,

  title        = {Materials Data on ReH2NCl4O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReNH2OCl4 is beta Sn-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ReNH2OCl4 clusters. Re7+ is bonded in a distorted octahedral geometry to one N3-, one O2-, and four Cl1- atoms. The Re–N bond length is 1.68 Å. The Re–O bond length is 2.48 Å. There are two shorter (2.31 Å) and two longer (2.33 Å) Re–Cl bond lengths. N3- is bonded in a single-bond geometry to one Re7+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one Re7+ and two equivalent H1+ atoms. There are two 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.},

  doi          = {10.17188/1726884},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1726884

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