Materials Data on OsF5 by Materials Project

doi:10.17188/1264822

Title: Materials Data on OsF5 by Materials Project

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Abstract

OsF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two OsF5 clusters. Os5+ is bonded to six F1- atoms to form corner-sharing OsF6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. There are a spread of Os–F bond distances ranging from 1.86–2.06 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.89 Å. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.89 Å. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.86 Å. In the eighth F1- site, F1- ismore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-540830

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; OsF5; F-Os

OSTI Identifier:: 1264822

DOI:: https://doi.org/10.17188/1264822

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                    The Materials Project. Materials Data on OsF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264822.

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                    The Materials Project. Materials Data on OsF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264822

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                    The Materials Project. 2020.  
"Materials Data on OsF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264822.  https://www.osti.gov/servlets/purl/1264822. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1264822,

  title        = {Materials Data on OsF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OsF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two OsF5 clusters. Os5+ is bonded to six F1- atoms to form corner-sharing OsF6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. There are a spread of Os–F bond distances ranging from 1.86–2.06 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.89 Å. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.89 Å. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.86 Å. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.86 Å. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Os5+ atoms.},

  doi          = {10.17188/1264822},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1264822

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