Materials Data on Yb(InCu)6 by Materials Project

doi:10.17188/1740557

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

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Abstract

Yb(CuIn)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Yb is bonded to twelve Cu and eight In atoms to form distorted YbIn8Cu12 hexagonal bipyramids that share corners with eight equivalent YbIn8Cu12 hexagonal bipyramids, faces with twenty-four CuYb2In6Cu4 cuboctahedra, and faces with two equivalent YbIn8Cu12 hexagonal bipyramids. There are four shorter (3.46 Å) and eight longer (3.56 Å) Yb–Cu bond lengths. There are a spread of Yb–In bond distances ranging from 3.14–3.18 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Yb, four Cu, and six In atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with fourteen CuYb2In6Cu4 cuboctahedra, edges with six CuYb2In6Cu4 cuboctahedra, faces with ten CuYb2In6Cu4 cuboctahedra, and faces with four equivalent YbIn8Cu12 hexagonal bipyramids. There are two shorter (2.68 Å) and two longer (2.70 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.77–2.82 Å. In the second Cu site, Cu is bonded to two equivalent Yb, four equivalent Cu, and six In atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with fourteen CuYb2In6Cu4 cuboctahedra, edges with seven CuYb2In6Cu4 cuboctahedra, faces with nine CuYb2In6Cu4 cuboctahedra, and faces withmore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1216251

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

OSTI Identifier:: 1740557

DOI:: https://doi.org/10.17188/1740557

Citation Formats


                    The Materials Project. Materials Data on Yb(InCu)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740557.

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                    The Materials Project. Materials Data on Yb(InCu)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740557

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                    The Materials Project. 2020.  
"Materials Data on Yb(InCu)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740557.  https://www.osti.gov/servlets/purl/1740557. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740557,

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

  author       = {The Materials Project},

  abstractNote = {Yb(CuIn)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Yb is bonded to twelve Cu and eight In atoms to form distorted YbIn8Cu12 hexagonal bipyramids that share corners with eight equivalent YbIn8Cu12 hexagonal bipyramids, faces with twenty-four CuYb2In6Cu4 cuboctahedra, and faces with two equivalent YbIn8Cu12 hexagonal bipyramids. There are four shorter (3.46 Å) and eight longer (3.56 Å) Yb–Cu bond lengths. There are a spread of Yb–In bond distances ranging from 3.14–3.18 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Yb, four Cu, and six In atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with fourteen CuYb2In6Cu4 cuboctahedra, edges with six CuYb2In6Cu4 cuboctahedra, faces with ten CuYb2In6Cu4 cuboctahedra, and faces with four equivalent YbIn8Cu12 hexagonal bipyramids. There are two shorter (2.68 Å) and two longer (2.70 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.77–2.82 Å. In the second Cu site, Cu is bonded to two equivalent Yb, four equivalent Cu, and six In atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with fourteen CuYb2In6Cu4 cuboctahedra, edges with seven CuYb2In6Cu4 cuboctahedra, faces with nine CuYb2In6Cu4 cuboctahedra, and faces with four equivalent YbIn8Cu12 hexagonal bipyramids. There are a spread of Cu–In bond distances ranging from 2.74–2.88 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to one Yb and six Cu atoms. In the second In site, In is bonded in a 8-coordinate geometry to one Yb, six Cu, and one In atom. The In–In bond length is 3.02 Å. In the third In site, In is bonded in a 8-coordinate geometry to two equivalent Yb and six Cu atoms.},

  doi          = {10.17188/1740557},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1740557

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