Materials Data on Tb(InCu)6 by Materials Project

doi:10.17188/1721903

Title: Materials Data on Tb(InCu)6 by Materials Project

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Abstract

TbCu6In6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to twelve Cu and eight In atoms. There are four shorter (3.50 Å) and eight longer (3.53 Å) Tb–Cu bond lengths. There are a spread of Tb–In bond distances ranging from 3.08–3.26 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Tb, four Cu, and six In atoms to form a mixture of distorted face, edge, and corner-sharing CuTb2In6Cu4 cuboctahedra. There are two shorter (2.69 Å) and two longer (2.78 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.74–2.81 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.73–2.94 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to one Tb, six Cu, and one In atom. The In–In bond length is 2.98 Å. In the second In site, In is bonded in a 10-coordinate geometry to one Tb and sixmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1217863

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; Tb(InCu)6; Cu-In-Tb

OSTI Identifier:: 1721903

DOI:: https://doi.org/10.17188/1721903

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                    The Materials Project. Materials Data on Tb(InCu)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721903.

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                    The Materials Project. Materials Data on Tb(InCu)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721903

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                    The Materials Project. 2020.  
"Materials Data on Tb(InCu)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721903.  https://www.osti.gov/servlets/purl/1721903. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1721903,

  title        = {Materials Data on Tb(InCu)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbCu6In6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to twelve Cu and eight In atoms. There are four shorter (3.50 Å) and eight longer (3.53 Å) Tb–Cu bond lengths. There are a spread of Tb–In bond distances ranging from 3.08–3.26 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Tb, four Cu, and six In atoms to form a mixture of distorted face, edge, and corner-sharing CuTb2In6Cu4 cuboctahedra. There are two shorter (2.69 Å) and two longer (2.78 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.74–2.81 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.73–2.94 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to one Tb, six Cu, and one In atom. The In–In bond length is 2.98 Å. In the second In site, In is bonded in a 10-coordinate geometry to one Tb and six Cu atoms. In the third In site, In is bonded in a 12-coordinate geometry to two equivalent Tb and six Cu atoms.},

  doi          = {10.17188/1721903},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721903

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