Materials Data on OsO3F2 by Materials Project

doi:10.17188/1202929

Title: Materials Data on OsO3F2 by Materials Project

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Abstract

OsO3F2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two OsO3F2 ribbons oriented in the (0, 1, 0) direction. Os8+ is bonded to three O2- and three F1- atoms to form distorted corner-sharing OsO3F3 octahedra. The corner-sharing octahedral tilt angles are 34°. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.91–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os8+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-28845

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; OsO3F2; F-O-Os

OSTI Identifier:: 1202929

DOI:: https://doi.org/10.17188/1202929

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                    The Materials Project. Materials Data on OsO3F2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202929.

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                    The Materials Project. Materials Data on OsO3F2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202929

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                    The Materials Project. 2020.  
"Materials Data on OsO3F2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202929.  https://www.osti.gov/servlets/purl/1202929. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1202929,

  title        = {Materials Data on OsO3F2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OsO3F2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two OsO3F2 ribbons oriented in the (0, 1, 0) direction. Os8+ is bonded to three O2- and three F1- atoms to form distorted corner-sharing OsO3F3 octahedra. The corner-sharing octahedral tilt angles are 34°. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.91–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os8+ atoms.},

  doi          = {10.17188/1202929},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202929

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