Materials Data on Er2Zn17 by Materials Project

doi:10.17188/1205300

Title: Materials Data on Er2Zn17 by Materials Project

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Abstract

Er2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.10–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Er and nine Zn atoms to form distorted ZnEr3Zn9 cuboctahedra that share corners with twenty-three ZnEr2Zn10 cuboctahedra, edges with ten ZnEr2Zn10 cuboctahedra, and faces with twenty ZnEr3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.53–2.86 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Er and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form ZnEr2Zn10 cuboctahedra that share corners with twenty-two ZnEr2Zn10 cuboctahedra, edges with ten ZnEr2Zn10 cuboctahedra, and faces with eighteen ZnEr3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form distorted ZnEr2Zn10 cuboctahedra that share corners with twenty-four ZnEr2Zn10 cuboctahedra, edges with five ZnEr2Zn10more »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-30963

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; Er2Zn17; Er-Zn

OSTI Identifier:: 1205300

DOI:: https://doi.org/10.17188/1205300

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                    The Materials Project. Materials Data on Er2Zn17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205300.

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                    The Materials Project. Materials Data on Er2Zn17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205300

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                    The Materials Project. 2020.  
"Materials Data on Er2Zn17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205300.  https://www.osti.gov/servlets/purl/1205300. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205300,

  title        = {Materials Data on Er2Zn17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.10–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Er and nine Zn atoms to form distorted ZnEr3Zn9 cuboctahedra that share corners with twenty-three ZnEr2Zn10 cuboctahedra, edges with ten ZnEr2Zn10 cuboctahedra, and faces with twenty ZnEr3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.53–2.86 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Er and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form ZnEr2Zn10 cuboctahedra that share corners with twenty-two ZnEr2Zn10 cuboctahedra, edges with ten ZnEr2Zn10 cuboctahedra, and faces with eighteen ZnEr3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form distorted ZnEr2Zn10 cuboctahedra that share corners with twenty-four ZnEr2Zn10 cuboctahedra, edges with five ZnEr2Zn10 cuboctahedra, and faces with twenty-one ZnEr3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.},

  doi          = {10.17188/1205300},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205300

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