Materials Data on TmAu3 by Materials Project

doi:10.17188/1274329

Title: Materials Data on TmAu3 by Materials Project

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Abstract

TmAu3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Tm3+ is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing TmAu12 cuboctahedra. There are a spread of Tm–Au bond distances ranging from 2.98–3.08 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted see-saw-like geometry to four equivalent Tm3+ atoms. In the second Au1- site, Au1- is bonded in a 12-coordinate geometry to four equivalent Tm3+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jun 04 00:00:00 EDT 2019

Other Number(s):: mp-568247

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; TmAu3; Au-Tm

OSTI Identifier:: 1274329

DOI:: https://doi.org/10.17188/1274329

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                    The Materials Project. Materials Data on TmAu3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1274329.

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                    The Materials Project. Materials Data on TmAu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274329

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                    The Materials Project. 2019.  
"Materials Data on TmAu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274329.  https://www.osti.gov/servlets/purl/1274329. Pub date:Tue Jun 04 00:00:00 EDT 2019

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@article{osti_1274329,

  title        = {Materials Data on TmAu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmAu3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Tm3+ is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing TmAu12 cuboctahedra. There are a spread of Tm–Au bond distances ranging from 2.98–3.08 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted see-saw-like geometry to four equivalent Tm3+ atoms. In the second Au1- site, Au1- is bonded in a 12-coordinate geometry to four equivalent Tm3+ atoms.},

  doi          = {10.17188/1274329},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jun 04 00:00:00 EDT 2019},

  month        = {Tue Jun 04 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1274329

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