Materials Data on ErZn12 by Materials Project

doi:10.17188/1205001

Title: Materials Data on ErZn12 by Materials Project

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Abstract

ErZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.15–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr2Zn10 cuboctahedra. There are two shorter (2.59 Å) and four longer (2.73 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Er and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-30614

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; ErZn12; Er-Zn

OSTI Identifier:: 1205001

DOI:: https://doi.org/10.17188/1205001

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                    The Materials Project. Materials Data on ErZn12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205001.

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                    The Materials Project. Materials Data on ErZn12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205001

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                    The Materials Project. 2020.  
"Materials Data on ErZn12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205001.  https://www.osti.gov/servlets/purl/1205001. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205001,

  title        = {Materials Data on ErZn12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.15–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr2Zn10 cuboctahedra. There are two shorter (2.59 Å) and four longer (2.73 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Er and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.},

  doi          = {10.17188/1205001},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205001

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