Materials Data on Dy2Zn17 by Materials Project

doi:10.17188/1275454

Title: Materials Data on Dy2Zn17 by Materials Project

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Abstract

Dy2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.14–3.46 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.09–3.40 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two Dy and ten Zn atoms to form distorted ZnDy2Zn10 cuboctahedra that share corners with twenty-four ZnDy2Zn10 cuboctahedra, edges with five ZnDy3Zn9 cuboctahedra, and faces with twenty-one ZnDy2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.98 Å. In the second Zn site, Zn is bonded to two equivalent Dy and ten Zn atoms to form ZnDy2Zn10 cuboctahedra that share corners with twenty-two ZnDy3Zn9 cuboctahedra, edges with ten ZnDy3Zn9 cuboctahedra, and faces with eighteen ZnDy2Zn10 cuboctahedra. There are four shorter (2.64 Å) and two longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to three Dy and nine Zn atoms to form distortedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-570071

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; Dy2Zn17; Dy-Zn

OSTI Identifier:: 1275454

DOI:: https://doi.org/10.17188/1275454

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                    The Materials Project. Materials Data on Dy2Zn17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275454.

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                    The Materials Project. Materials Data on Dy2Zn17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275454

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                    The Materials Project. 2020.  
"Materials Data on Dy2Zn17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275454.  https://www.osti.gov/servlets/purl/1275454. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1275454,

  title        = {Materials Data on Dy2Zn17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.14–3.46 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.09–3.40 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two Dy and ten Zn atoms to form distorted ZnDy2Zn10 cuboctahedra that share corners with twenty-four ZnDy2Zn10 cuboctahedra, edges with five ZnDy3Zn9 cuboctahedra, and faces with twenty-one ZnDy2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.98 Å. In the second Zn site, Zn is bonded to two equivalent Dy and ten Zn atoms to form ZnDy2Zn10 cuboctahedra that share corners with twenty-two ZnDy3Zn9 cuboctahedra, edges with ten ZnDy3Zn9 cuboctahedra, and faces with eighteen ZnDy2Zn10 cuboctahedra. There are four shorter (2.64 Å) and two longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to three Dy and nine Zn atoms to form distorted ZnDy3Zn9 cuboctahedra that share corners with twenty-three ZnDy3Zn9 cuboctahedra, edges with ten ZnDy3Zn9 cuboctahedra, and faces with twenty ZnDy2Zn10 cuboctahedra. There are two shorter (2.54 Å) and one longer (2.88 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to one Dy and thirteen Zn atoms. The Zn–Zn bond length is 2.61 Å.},

  doi          = {10.17188/1275454},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275454

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