Materials Data on CuAuF5 by Materials Project

doi:10.17188/1202492

Title: Materials Data on CuAuF5 by Materials Project

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Abstract

CuFAuF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.99 Å. Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cu–F bond distances ranging from 1.89–2.10 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Au3+ and one Cu2+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one Cu2+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-28376

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; CuAuF5; Au-Cu-F

OSTI Identifier:: 1202492

DOI:: https://doi.org/10.17188/1202492

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                    The Materials Project. Materials Data on CuAuF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202492.

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                    The Materials Project. Materials Data on CuAuF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202492

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                    The Materials Project. 2020.  
"Materials Data on CuAuF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202492.  https://www.osti.gov/servlets/purl/1202492. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202492,

  title        = {Materials Data on CuAuF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuFAuF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.99 Å. Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cu–F bond distances ranging from 1.89–2.10 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Au3+ and one Cu2+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one Cu2+ atom.},

  doi          = {10.17188/1202492},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202492

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