Materials Data on TbAs2Au by Materials Project

doi:10.17188/1680884

Title: Materials Data on TbAs2Au by Materials Project

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Abstract

TbAuAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Tb–As bond distances ranging from 2.94–3.14 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Tb–As bond distances ranging from 2.94–3.14 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.73 Å) and two longer (2.97 Å) Au–As bond lengths. In the second Au3+ site, Au3+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.74 Å) and two longer (2.96 Å) Au–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four Au3+ atoms. In the third As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ andmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1202146

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; TbAs2Au; As-Au-Tb

OSTI Identifier:: 1680884

DOI:: https://doi.org/10.17188/1680884

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                    The Materials Project. Materials Data on TbAs2Au by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1680884.

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                    The Materials Project. Materials Data on TbAs2Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1680884

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                    The Materials Project. 2019.  
"Materials Data on TbAs2Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1680884.  https://www.osti.gov/servlets/purl/1680884. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1680884,

  title        = {Materials Data on TbAs2Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbAuAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Tb–As bond distances ranging from 2.94–3.14 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Tb–As bond distances ranging from 2.94–3.14 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.73 Å) and two longer (2.97 Å) Au–As bond lengths. In the second Au3+ site, Au3+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.74 Å) and two longer (2.96 Å) Au–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four Au3+ atoms. In the third As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four equivalent As3- atoms. There are a spread of As–As bond distances ranging from 2.63–3.06 Å.},

  doi          = {10.17188/1680884},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1680884

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