Materials Data on ZrSiO4 by Materials Project

doi:10.17188/1351496

Title: Materials Data on ZrSiO4 by Materials Project

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Abstract

ZrSiO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.07–2.53 Å. Si4+ is bonded to six O2- atoms to form distorted edge-sharing SiO6 octahedra. There are a spread of Si–O bond distances ranging from 1.73–1.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-1020588

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; ZrSiO4; O-Si-Zr

OSTI Identifier:: 1351496

DOI:: https://doi.org/10.17188/1351496

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                    The Materials Project. Materials Data on ZrSiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1351496.

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                    The Materials Project. Materials Data on ZrSiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1351496

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                    The Materials Project. 2020.  
"Materials Data on ZrSiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1351496.  https://www.osti.gov/servlets/purl/1351496. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1351496,

  title        = {Materials Data on ZrSiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrSiO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.07–2.53 Å. Si4+ is bonded to six O2- atoms to form distorted edge-sharing SiO6 octahedra. There are a spread of Si–O bond distances ranging from 1.73–1.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and one Si4+ atom.},

  doi          = {10.17188/1351496},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1351496

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