Materials Data on Cu3Sb by Materials Project

doi:10.17188/1196096

Title: Materials Data on Cu3Sb by Materials Project

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Abstract

Cu3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.76 Å) and two longer (2.83 Å) Cu–Sb bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. There are a spread of Cu–Sb bond distances ranging from 2.75–2.89 Å. Sb3- is bonded to twelve Cu1+ atoms to form a mixture of face, edge, and corner-sharing SbCu12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-20900

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; Cu3Sb; Cu-Sb

OSTI Identifier:: 1196096

DOI:: https://doi.org/10.17188/1196096

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                    The Materials Project. Materials Data on Cu3Sb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196096.

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                    The Materials Project. Materials Data on Cu3Sb by Materials Project.  United States.  doi:https://doi.org/10.17188/1196096

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                    The Materials Project. 2020.  
"Materials Data on Cu3Sb by Materials Project".  United States.  doi:https://doi.org/10.17188/1196096.  https://www.osti.gov/servlets/purl/1196096. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1196096,

  title        = {Materials Data on Cu3Sb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.76 Å) and two longer (2.83 Å) Cu–Sb bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. There are a spread of Cu–Sb bond distances ranging from 2.75–2.89 Å. Sb3- is bonded to twelve Cu1+ atoms to form a mixture of face, edge, and corner-sharing SbCu12 cuboctahedra.},

  doi          = {10.17188/1196096},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196096

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