Materials Data on Tb3ZnAu5 by Materials Project

doi:10.17188/1733098

Title: Materials Data on Tb3ZnAu5 by Materials Project

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Abstract

Tb3Au5Zn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to ten Au and one Zn atom. There are a spread of Tb–Au bond distances ranging from 2.96–3.37 Å. The Tb–Zn bond length is 3.16 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to ten Au and one Zn atom. There are a spread of Tb–Au bond distances ranging from 2.96–3.42 Å. The Tb–Zn bond length is 3.23 Å. In the third Tb site, Tb is bonded in a 8-coordinate geometry to ten Au atoms. There are a spread of Tb–Au bond distances ranging from 2.95–3.67 Å. In the fourth Tb site, Tb is bonded in a 10-coordinate geometry to ten Au atoms. There are a spread of Tb–Au bond distances ranging from 3.01–3.38 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 4-coordinate geometry to six Tb, five Au, and two Zn atoms. There are a spread of Au–Au bond distances ranging from 2.89–3.16 Å. There are one shorter (2.72 Å) and one longer (2.73 Å)more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1194575

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; Tb3ZnAu5; Au-Tb-Zn

OSTI Identifier:: 1733098

DOI:: https://doi.org/10.17188/1733098

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                    The Materials Project. Materials Data on Tb3ZnAu5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733098.

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                    The Materials Project. Materials Data on Tb3ZnAu5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733098

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                    The Materials Project. 2020.  
"Materials Data on Tb3ZnAu5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733098.  https://www.osti.gov/servlets/purl/1733098. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1733098,

  title        = {Materials Data on Tb3ZnAu5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb3Au5Zn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to ten Au and one Zn atom. There are a spread of Tb–Au bond distances ranging from 2.96–3.37 Å. The Tb–Zn bond length is 3.16 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to ten Au and one Zn atom. There are a spread of Tb–Au bond distances ranging from 2.96–3.42 Å. The Tb–Zn bond length is 3.23 Å. In the third Tb site, Tb is bonded in a 8-coordinate geometry to ten Au atoms. There are a spread of Tb–Au bond distances ranging from 2.95–3.67 Å. In the fourth Tb site, Tb is bonded in a 10-coordinate geometry to ten Au atoms. There are a spread of Tb–Au bond distances ranging from 3.01–3.38 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 4-coordinate geometry to six Tb, five Au, and two Zn atoms. There are a spread of Au–Au bond distances ranging from 2.89–3.16 Å. There are one shorter (2.72 Å) and one longer (2.73 Å) Au–Zn bond lengths. In the second Au site, Au is bonded in a 4-coordinate geometry to six Tb, four Au, and one Zn atom. There are a spread of Au–Au bond distances ranging from 2.92–3.24 Å. The Au–Zn bond length is 2.72 Å. In the third Au site, Au is bonded in a 11-coordinate geometry to six Tb, four Au, and one Zn atom. There are one shorter (2.94 Å) and one longer (3.25 Å) Au–Au bond lengths. The Au–Zn bond length is 2.69 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to one Tb and six Au atoms. In the second Zn site, Zn is bonded in a 6-coordinate geometry to one Tb and six Au atoms.},

  doi          = {10.17188/1733098},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733098

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