Materials Data on Dy5Mg by Materials Project

doi:10.17188/1751243

Title: Materials Data on Dy5Mg by Materials Project

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Abstract

MgDy5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Dy atoms. There are a spread of Mg–Dy bond distances ranging from 3.45–3.57 Å. There are five inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Dy atoms to form DyDy12 cuboctahedra that share corners with eighteen DyDy12 cuboctahedra, edges with ten DyDy10Mg2 cuboctahedra, and faces with eighteen DyDy12 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.46–3.59 Å. In the second Dy site, Dy is bonded to four equivalent Mg and eight Dy atoms to form a mixture of face, edge, and corner-sharing DyDy8Mg4 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.46–3.57 Å. In the third Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form a mixture of face, edge, and corner-sharing DyDy10Mg2 cuboctahedra. There are four shorter (3.46 Å) and two longer (3.57 Å) Dy–Dy bond lengths. In the fourth Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with twelve DyDy10Mg2 cuboctahedra, edges with fifteen DyDy12 cuboctahedra, andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1183830

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; Dy5Mg; Dy-Mg

OSTI Identifier:: 1751243

DOI:: https://doi.org/10.17188/1751243

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                    The Materials Project. Materials Data on Dy5Mg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751243.

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                    The Materials Project. Materials Data on Dy5Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1751243

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                    The Materials Project. 2020.  
"Materials Data on Dy5Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1751243.  https://www.osti.gov/servlets/purl/1751243. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751243,

  title        = {Materials Data on Dy5Mg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgDy5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Dy atoms. There are a spread of Mg–Dy bond distances ranging from 3.45–3.57 Å. There are five inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Dy atoms to form DyDy12 cuboctahedra that share corners with eighteen DyDy12 cuboctahedra, edges with ten DyDy10Mg2 cuboctahedra, and faces with eighteen DyDy12 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.46–3.59 Å. In the second Dy site, Dy is bonded to four equivalent Mg and eight Dy atoms to form a mixture of face, edge, and corner-sharing DyDy8Mg4 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.46–3.57 Å. In the third Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form a mixture of face, edge, and corner-sharing DyDy10Mg2 cuboctahedra. There are four shorter (3.46 Å) and two longer (3.57 Å) Dy–Dy bond lengths. In the fourth Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with twelve DyDy10Mg2 cuboctahedra, edges with fifteen DyDy12 cuboctahedra, and faces with eighteen DyDy12 cuboctahedra. There are two shorter (3.56 Å) and two longer (3.57 Å) Dy–Dy bond lengths. In the fifth Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with twelve DyDy10Mg2 cuboctahedra, edges with fifteen DyDy8Mg4 cuboctahedra, and faces with eighteen DyDy12 cuboctahedra. Both Dy–Dy bond lengths are 3.57 Å.},

  doi          = {10.17188/1751243},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751243

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