Materials Data on Zr5Sn3O by Materials Project

doi:10.17188/1306451

Title: Materials Data on Zr5Sn3O by Materials Project

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Abstract

Zr5Sn3O crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent O atoms. There are a spread of Zr–Sn bond distances ranging from 2.97–3.25 Å. Both Zr–O bond lengths are 2.43 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 2.97 Å. Sn is bonded in a 9-coordinate geometry to nine Zr atoms. O is bonded to six equivalent Zr atoms to form face-sharing OZr6 octahedra.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-779662

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; Zr5Sn3O; O-Sn-Zr

OSTI Identifier:: 1306451

DOI:: https://doi.org/10.17188/1306451

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                    The Materials Project. Materials Data on Zr5Sn3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1306451.

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                    The Materials Project. Materials Data on Zr5Sn3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1306451

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                    The Materials Project. 2020.  
"Materials Data on Zr5Sn3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1306451.  https://www.osti.gov/servlets/purl/1306451. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1306451,

  title        = {Materials Data on Zr5Sn3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr5Sn3O crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent O atoms. There are a spread of Zr–Sn bond distances ranging from 2.97–3.25 Å. Both Zr–O bond lengths are 2.43 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 2.97 Å. Sn is bonded in a 9-coordinate geometry to nine Zr atoms. O is bonded to six equivalent Zr atoms to form face-sharing OZr6 octahedra.},

  doi          = {10.17188/1306451},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1306451

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