Materials Data on Pm3Zr by Materials Project

doi:10.17188/1674521

Title: Materials Data on Pm3Zr by Materials Project

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Abstract

Pm3Zr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pm is bonded to eight equivalent Pm and four equivalent Zr atoms to form distorted PmPm8Zr4 cuboctahedra that share corners with four equivalent ZrPm12 cuboctahedra, corners with fourteen equivalent PmPm8Zr4 cuboctahedra, edges with six equivalent ZrPm12 cuboctahedra, edges with twelve equivalent PmPm8Zr4 cuboctahedra, faces with four equivalent ZrPm12 cuboctahedra, and faces with sixteen equivalent PmPm8Zr4 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.44–3.66 Å. There are two shorter (3.49 Å) and two longer (3.55 Å) Pm–Zr bond lengths. Zr is bonded to twelve equivalent Pm atoms to form ZrPm12 cuboctahedra that share corners with six equivalent ZrPm12 cuboctahedra, corners with twelve equivalent PmPm8Zr4 cuboctahedra, edges with eighteen equivalent PmPm8Zr4 cuboctahedra, faces with eight equivalent ZrPm12 cuboctahedra, and faces with twelve equivalent PmPm8Zr4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1186544

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; Pm3Zr; Pm-Zr

OSTI Identifier:: 1674521

DOI:: https://doi.org/10.17188/1674521

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                    The Materials Project. Materials Data on Pm3Zr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674521.

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                    The Materials Project. Materials Data on Pm3Zr by Materials Project.  United States.  doi:https://doi.org/10.17188/1674521

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                    The Materials Project. 2020.  
"Materials Data on Pm3Zr by Materials Project".  United States.  doi:https://doi.org/10.17188/1674521.  https://www.osti.gov/servlets/purl/1674521. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1674521,

  title        = {Materials Data on Pm3Zr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pm3Zr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pm is bonded to eight equivalent Pm and four equivalent Zr atoms to form distorted PmPm8Zr4 cuboctahedra that share corners with four equivalent ZrPm12 cuboctahedra, corners with fourteen equivalent PmPm8Zr4 cuboctahedra, edges with six equivalent ZrPm12 cuboctahedra, edges with twelve equivalent PmPm8Zr4 cuboctahedra, faces with four equivalent ZrPm12 cuboctahedra, and faces with sixteen equivalent PmPm8Zr4 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.44–3.66 Å. There are two shorter (3.49 Å) and two longer (3.55 Å) Pm–Zr bond lengths. Zr is bonded to twelve equivalent Pm atoms to form ZrPm12 cuboctahedra that share corners with six equivalent ZrPm12 cuboctahedra, corners with twelve equivalent PmPm8Zr4 cuboctahedra, edges with eighteen equivalent PmPm8Zr4 cuboctahedra, faces with eight equivalent ZrPm12 cuboctahedra, and faces with twelve equivalent PmPm8Zr4 cuboctahedra.},

  doi          = {10.17188/1674521},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674521

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