Materials Data on Pr3Zn11 by Materials Project

doi:10.17188/1664305

Title: Materials Data on Pr3Zn11 by Materials Project

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Abstract

Pr3Zn11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.13–3.54 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to sixteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.11–3.49 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pr and eight Zn atoms to form distorted face-sharing ZnPr4Zn8 cuboctahedra. There are four shorter (2.69 Å) and four longer (2.88 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four Pr and eight Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPr4Zn8 cuboctahedra. There are two shorter (2.60 Å) and four longer (2.91 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five Pr and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.53–2.78 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometrymore » to four Pr and six Zn atoms.« less

Authors:: The Materials Project

Publication Date:: Thu Jul 19 00:00:00 EDT 2018

Other Number(s):: mp-1104934

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; Pr3Zn11; Pr-Zn

OSTI Identifier:: 1664305

DOI:: https://doi.org/10.17188/1664305

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                    The Materials Project. Materials Data on Pr3Zn11 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1664305.

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                    The Materials Project. Materials Data on Pr3Zn11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664305

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                    The Materials Project. 2018.  
"Materials Data on Pr3Zn11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664305.  https://www.osti.gov/servlets/purl/1664305. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1664305,

  title        = {Materials Data on Pr3Zn11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3Zn11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.13–3.54 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to sixteen Zn atoms. There are a spread of Pr–Zn bond distances ranging from 3.11–3.49 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pr and eight Zn atoms to form distorted face-sharing ZnPr4Zn8 cuboctahedra. There are four shorter (2.69 Å) and four longer (2.88 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four Pr and eight Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPr4Zn8 cuboctahedra. There are two shorter (2.60 Å) and four longer (2.91 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five Pr and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.53–2.78 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to four Pr and six Zn atoms.},

  doi          = {10.17188/1664305},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 19 00:00:00 EDT 2018},

  month        = {Thu Jul 19 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1664305

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