Materials Data on CuMoF6 by Materials Project

doi:10.17188/1269165

Title: Materials Data on CuMoF6 by Materials Project

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Abstract

MoCuF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one MoCuF6 ribbon oriented in the (1, 1, 1) direction. Mo5+ is bonded in a linear geometry to two equivalent F1- atoms. Both Mo–F bond lengths are 1.18 Å. Cu1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Cu–F bond distances ranging from 1.90–2.56 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cu1+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mo5+ and one Cu1+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cu1+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-556093

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; CuMoF6; Cu-F-Mo

OSTI Identifier:: 1269165

DOI:: https://doi.org/10.17188/1269165

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                    The Materials Project. Materials Data on CuMoF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269165.

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                    The Materials Project. Materials Data on CuMoF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269165

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                    The Materials Project. 2020.  
"Materials Data on CuMoF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269165.  https://www.osti.gov/servlets/purl/1269165. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1269165,

  title        = {Materials Data on CuMoF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoCuF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one MoCuF6 ribbon oriented in the (1, 1, 1) direction. Mo5+ is bonded in a linear geometry to two equivalent F1- atoms. Both Mo–F bond lengths are 1.18 Å. Cu1+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Cu–F bond distances ranging from 1.90–2.56 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cu1+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mo5+ and one Cu1+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cu1+ atom.},

  doi          = {10.17188/1269165},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269165

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