Materials Data on Pr3Dy by Materials Project

doi:10.17188/1665735

Title: Materials Data on Pr3Dy by Materials Project

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Abstract

DyPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. All Dy–Pr bond lengths are 3.69 Å. In the second Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. There are six shorter (3.68 Å) and six longer (3.69 Å) Dy–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with fourteen equivalent PrPr8Dy4 cuboctahedra, edges with six DyPr12 cuboctahedra, edges with twelve PrPr8Dy4 cuboctahedra, faces with four DyPr12 cuboctahedra, and faces with sixteen PrPr8Dy4 cuboctahedra. There are two shortermore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1186713

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; Pr3Dy; Dy-Pr

OSTI Identifier:: 1665735

DOI:: https://doi.org/10.17188/1665735

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                    The Materials Project. Materials Data on Pr3Dy by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1665735.

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                    The Materials Project. Materials Data on Pr3Dy by Materials Project.  United States.  doi:https://doi.org/10.17188/1665735

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                    The Materials Project. 2020.  
"Materials Data on Pr3Dy by Materials Project".  United States.  doi:https://doi.org/10.17188/1665735.  https://www.osti.gov/servlets/purl/1665735. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1665735,

  title        = {Materials Data on Pr3Dy by Materials Project},

  author       = {The Materials Project},

  abstractNote = {DyPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. All Dy–Pr bond lengths are 3.69 Å. In the second Dy site, Dy is bonded to twelve Pr atoms to form DyPr12 cuboctahedra that share corners with six equivalent DyPr12 cuboctahedra, corners with twelve equivalent PrPr8Dy4 cuboctahedra, edges with eighteen PrPr8Dy4 cuboctahedra, faces with eight DyPr12 cuboctahedra, and faces with twelve PrPr8Dy4 cuboctahedra. There are six shorter (3.68 Å) and six longer (3.69 Å) Dy–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with fourteen equivalent PrPr8Dy4 cuboctahedra, edges with six DyPr12 cuboctahedra, edges with twelve PrPr8Dy4 cuboctahedra, faces with four DyPr12 cuboctahedra, and faces with sixteen PrPr8Dy4 cuboctahedra. There are two shorter (3.67 Å) and six longer (3.70 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four Dy and eight Pr atoms to form PrPr8Dy4 cuboctahedra that share corners with four equivalent DyPr12 cuboctahedra, corners with fourteen equivalent PrPr8Dy4 cuboctahedra, edges with six DyPr12 cuboctahedra, edges with twelve PrPr8Dy4 cuboctahedra, faces with four DyPr12 cuboctahedra, and faces with sixteen PrPr8Dy4 cuboctahedra. There are two shorter (3.64 Å) and two longer (3.73 Å) Pr–Pr bond lengths.},

  doi          = {10.17188/1665735},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1665735

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