Materials Data on SrZn11 by Materials Project

doi:10.17188/1192840

Title: Materials Data on SrZn11 by Materials Project

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Abstract

SrZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Sr–Zn bond distances ranging from 3.34–3.46 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.83 Å. In the second Zn site, Zn is bonded to two equivalent Sr and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnSr2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.98 Å. In the third Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Sr and twelve Zn atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-18026

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; SrZn11; Sr-Zn

OSTI Identifier:: 1192840

DOI:: https://doi.org/10.17188/1192840

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                    The Materials Project. Materials Data on SrZn11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192840.

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                    The Materials Project. Materials Data on SrZn11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192840

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                    The Materials Project. 2020.  
"Materials Data on SrZn11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192840.  https://www.osti.gov/servlets/purl/1192840. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1192840,

  title        = {Materials Data on SrZn11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Sr–Zn bond distances ranging from 3.34–3.46 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.83 Å. In the second Zn site, Zn is bonded to two equivalent Sr and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnSr2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.98 Å. In the third Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Sr and twelve Zn atoms.},

  doi          = {10.17188/1192840},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192840

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