Materials Data on Er6Zn23 by Materials Project

doi:10.17188/1205002

Title: Materials Data on Er6Zn23 by Materials Project

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Abstract

Er6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.08–3.21 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Er and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.76 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are three shorter (2.58 Å) and three longer (2.84 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. In the fourth Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form a mixture of corner and face-sharing ZnEr4Zn8 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-30615

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; Er6Zn23; Er-Zn

OSTI Identifier:: 1205002

DOI:: https://doi.org/10.17188/1205002

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                    The Materials Project. Materials Data on Er6Zn23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205002.

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                    The Materials Project. Materials Data on Er6Zn23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205002

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                    The Materials Project. 2020.  
"Materials Data on Er6Zn23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205002.  https://www.osti.gov/servlets/purl/1205002. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1205002,

  title        = {Materials Data on Er6Zn23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.08–3.21 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Er and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.76 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are three shorter (2.58 Å) and three longer (2.84 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. In the fourth Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form a mixture of corner and face-sharing ZnEr4Zn8 cuboctahedra.},

  doi          = {10.17188/1205002},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205002

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