Materials Data on Dy(AlCu)6 by Materials Project

doi:10.17188/1677954

Title: Materials Data on Dy(AlCu)6 by Materials Project

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Abstract

Dy(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.20 Å) and eight longer (3.30 Å) Dy–Cu bond lengths. There are a spread of Dy–Al bond distances ranging from 2.96–3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four Cu, and six Al atoms. There are two shorter (2.52 Å) and two longer (2.55 Å) Cu–Cu bond lengths. There are two shorter (2.52 Å) and four longer (2.64 Å) Cu–Al bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six Al atoms. There are a spread of Cu–Al bond distances ranging from 2.64–2.74 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Dy, six Cu, and three Al atoms. There are one shorter (2.63 Å) and two longer (2.83 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Dy, sixmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1225665

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; Dy(AlCu)6; Al-Cu-Dy

OSTI Identifier:: 1677954

DOI:: https://doi.org/10.17188/1677954

Citation Formats


                    The Materials Project. Materials Data on Dy(AlCu)6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677954.

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                    The Materials Project. Materials Data on Dy(AlCu)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677954

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                    The Materials Project. 2019.  
"Materials Data on Dy(AlCu)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677954.  https://www.osti.gov/servlets/purl/1677954. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1677954,

  title        = {Materials Data on Dy(AlCu)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.20 Å) and eight longer (3.30 Å) Dy–Cu bond lengths. There are a spread of Dy–Al bond distances ranging from 2.96–3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four Cu, and six Al atoms. There are two shorter (2.52 Å) and two longer (2.55 Å) Cu–Cu bond lengths. There are two shorter (2.52 Å) and four longer (2.64 Å) Cu–Al bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six Al atoms. There are a spread of Cu–Al bond distances ranging from 2.64–2.74 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Dy, six Cu, and three Al atoms. There are one shorter (2.63 Å) and two longer (2.83 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Dy, six Cu, and three Al atoms. There are one shorter (2.65 Å) and two longer (2.87 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, six Cu, and four Al atoms.},

  doi          = {10.17188/1677954},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1677954

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