Materials Data on Tb2In3Cu by Materials Project

doi:10.17188/1746280

Title: Materials Data on Tb2In3Cu by Materials Project

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Abstract

Tb2CuIn3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to three equivalent Cu and nine In atoms. All Tb–Cu bond lengths are 3.06 Å. There are a spread of Tb–In bond distances ranging from 3.14–3.67 Å. In the second Tb site, Tb is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Tb–Cu bond lengths are 3.43 Å. There are a spread of Tb–In bond distances ranging from 3.15–3.69 Å. Cu is bonded in a 10-coordinate geometry to six Tb and four In atoms. There are three shorter (2.76 Å) and one longer (2.94 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Tb, three equivalent Cu, and one In atom. The In–In bond length is 3.24 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Tb and four In atoms. All In–In bond lengths are 2.87 Å. In the third In site, In is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1217750

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; Tb2In3Cu; Cu-In-Tb

OSTI Identifier:: 1746280

DOI:: https://doi.org/10.17188/1746280

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                    The Materials Project. Materials Data on Tb2In3Cu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746280.

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                    The Materials Project. Materials Data on Tb2In3Cu by Materials Project.  United States.  doi:https://doi.org/10.17188/1746280

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                    The Materials Project. 2020.  
"Materials Data on Tb2In3Cu by Materials Project".  United States.  doi:https://doi.org/10.17188/1746280.  https://www.osti.gov/servlets/purl/1746280. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746280,

  title        = {Materials Data on Tb2In3Cu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb2CuIn3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to three equivalent Cu and nine In atoms. All Tb–Cu bond lengths are 3.06 Å. There are a spread of Tb–In bond distances ranging from 3.14–3.67 Å. In the second Tb site, Tb is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Tb–Cu bond lengths are 3.43 Å. There are a spread of Tb–In bond distances ranging from 3.15–3.69 Å. Cu is bonded in a 10-coordinate geometry to six Tb and four In atoms. There are three shorter (2.76 Å) and one longer (2.94 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Tb, three equivalent Cu, and one In atom. The In–In bond length is 3.24 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Tb and four In atoms. All In–In bond lengths are 2.87 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Tb, one Cu, and three equivalent In atoms.},

  doi          = {10.17188/1746280},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746280

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