Materials Data on DyIn7Cu5 by Materials Project

doi:10.17188/1681641

Title: Materials Data on DyIn7Cu5 by Materials Project

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Abstract

DyCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Dy–Cu bond distances ranging from 3.49–3.66 Å. There are a spread of Dy–In bond distances ranging from 3.18–3.47 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.76 Å. There are a spread of Cu–In bond distances ranging from 2.70–3.01 Å. In the second Cu site, Cu is bonded to two equivalent Dy, four equivalent Cu, and six In atoms to form distorted edge-sharing CuDy2In6Cu4 cuboctahedra. There are a spread of Cu–In bond distances ranging from 2.75–2.93 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to one Dy, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 2.98–3.19 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Dy, six Cu, and three In atoms.more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1226099

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; DyIn7Cu5; Cu-Dy-In

OSTI Identifier:: 1681641

DOI:: https://doi.org/10.17188/1681641

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                    The Materials Project. Materials Data on DyIn7Cu5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681641.

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                    The Materials Project. Materials Data on DyIn7Cu5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681641

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                    The Materials Project. 2020.  
"Materials Data on DyIn7Cu5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681641.  https://www.osti.gov/servlets/purl/1681641. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1681641,

  title        = {Materials Data on DyIn7Cu5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {DyCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Dy–Cu bond distances ranging from 3.49–3.66 Å. There are a spread of Dy–In bond distances ranging from 3.18–3.47 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.76 Å. There are a spread of Cu–In bond distances ranging from 2.70–3.01 Å. In the second Cu site, Cu is bonded to two equivalent Dy, four equivalent Cu, and six In atoms to form distorted edge-sharing CuDy2In6Cu4 cuboctahedra. There are a spread of Cu–In bond distances ranging from 2.75–2.93 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to one Dy, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 2.98–3.19 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Dy, six Cu, and three In atoms. Both In–In bond lengths are 3.34 Å. In the third In site, In is bonded in a 6-coordinate geometry to one Dy, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.00–3.16 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.90 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Dy, five Cu, and five In atoms.},

  doi          = {10.17188/1681641},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681641

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