Materials Data on Os2N4Cl10O by Materials Project

doi:10.17188/1721938

Title: Materials Data on Os2N4Cl10O by Materials Project

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Abstract

Os2N4OCl10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os8+ is bonded to one O2- and five Cl1- atoms to form OsCl5O octahedra that share a cornercorner with one OsCl5O octahedra and faces with four equivalent NCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. The Os–O bond length is 1.86 Å. There are one shorter (2.26 Å) and four longer (2.31 Å) Os–Cl bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All N–Cl bond lengths are 3.20 Å. In the second N1- site, N1- is bonded to twelve Cl1- atoms to form distorted NCl12 cuboctahedra that share corners with four equivalent NCl12 cuboctahedra, faces with four equivalent NCl12 cuboctahedra, and faces with four equivalent OsCl5O octahedra. There are eight shorter (3.53 Å) and four longer (3.66 Å) N–Cl bond lengths. O2- is bonded in a linear geometry to two equivalent Os8+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Os8+ and four equivalent N1- atoms. In the second Cl1- site, Cl1- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1106188

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; Os2N4Cl10O; Cl-N-O-Os

OSTI Identifier:: 1721938

DOI:: https://doi.org/10.17188/1721938

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                    The Materials Project. Materials Data on Os2N4Cl10O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721938.

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                    The Materials Project. Materials Data on Os2N4Cl10O by Materials Project.  United States.  doi:https://doi.org/10.17188/1721938

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                    The Materials Project. 2020.  
"Materials Data on Os2N4Cl10O by Materials Project".  United States.  doi:https://doi.org/10.17188/1721938.  https://www.osti.gov/servlets/purl/1721938. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1721938,

  title        = {Materials Data on Os2N4Cl10O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Os2N4OCl10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os8+ is bonded to one O2- and five Cl1- atoms to form OsCl5O octahedra that share a cornercorner with one OsCl5O octahedra and faces with four equivalent NCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. The Os–O bond length is 1.86 Å. There are one shorter (2.26 Å) and four longer (2.31 Å) Os–Cl bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All N–Cl bond lengths are 3.20 Å. In the second N1- site, N1- is bonded to twelve Cl1- atoms to form distorted NCl12 cuboctahedra that share corners with four equivalent NCl12 cuboctahedra, faces with four equivalent NCl12 cuboctahedra, and faces with four equivalent OsCl5O octahedra. There are eight shorter (3.53 Å) and four longer (3.66 Å) N–Cl bond lengths. O2- is bonded in a linear geometry to two equivalent Os8+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Os8+ and four equivalent N1- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Os8+ and four N1- atoms.},

  doi          = {10.17188/1721938},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721938

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