Materials Data on TbAu6 by Materials Project

doi:10.17188/1733191

Title: Materials Data on TbAu6 by Materials Project

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Abstract

TbAu6 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Tb3+ is bonded in a 5-coordinate geometry to fifteen Au+0.50- atoms. There are a spread of Tb–Au bond distances ranging from 3.04–3.48 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to three equivalent Tb3+ and five Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.15 Å. In the second Au+0.50- site, Au+0.50- is bonded in a distorted bent 120 degrees geometry to three equivalent Tb3+ and four Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.89–2.95 Å. In the third Au+0.50- site, Au+0.50- is bonded in a 10-coordinate geometry to two equivalent Tb3+ and eight Au+0.50- atoms. In the fourth Au+0.50- site, Au+0.50- is bonded in a distorted linear geometry to two equivalent Tb3+ and four equivalent Au+0.50- atoms. All Au–Au bond lengths are 2.86 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to two equivalent Tb3+ and ten Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.87–3.09 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1201168

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; TbAu6; Au-Tb

OSTI Identifier:: 1733191

DOI:: https://doi.org/10.17188/1733191

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                    The Materials Project. Materials Data on TbAu6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733191.

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                    The Materials Project. Materials Data on TbAu6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733191

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                    The Materials Project. 2020.  
"Materials Data on TbAu6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733191.  https://www.osti.gov/servlets/purl/1733191. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1733191,

  title        = {Materials Data on TbAu6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbAu6 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Tb3+ is bonded in a 5-coordinate geometry to fifteen Au+0.50- atoms. There are a spread of Tb–Au bond distances ranging from 3.04–3.48 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to three equivalent Tb3+ and five Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.15 Å. In the second Au+0.50- site, Au+0.50- is bonded in a distorted bent 120 degrees geometry to three equivalent Tb3+ and four Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.89–2.95 Å. In the third Au+0.50- site, Au+0.50- is bonded in a 10-coordinate geometry to two equivalent Tb3+ and eight Au+0.50- atoms. In the fourth Au+0.50- site, Au+0.50- is bonded in a distorted linear geometry to two equivalent Tb3+ and four equivalent Au+0.50- atoms. All Au–Au bond lengths are 2.86 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to two equivalent Tb3+ and ten Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.87–3.09 Å.},

  doi          = {10.17188/1733191},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733191

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