Materials Data on ZrSiO2 by Materials Project

doi:10.17188/1753226

Title: Materials Data on ZrSiO2 by Materials Project

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Abstract

ZrSiO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr is bonded to six equivalent O atoms to form distorted edge-sharing ZrO6 octahedra. There are two shorter (2.22 Å) and four longer (2.25 Å) Zr–O bond lengths. Si is bonded in a square co-planar geometry to four equivalent O atoms. All Si–O bond lengths are 2.35 Å. O is bonded to three equivalent Zr and two equivalent Si atoms to form a mixture of distorted edge and corner-sharing OZr3Si2 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1207403

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; ZrSiO2; O-Si-Zr

OSTI Identifier:: 1753226

DOI:: https://doi.org/10.17188/1753226

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                    The Materials Project. Materials Data on ZrSiO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753226.

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                    The Materials Project. Materials Data on ZrSiO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753226

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                    The Materials Project. 2020.  
"Materials Data on ZrSiO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753226.  https://www.osti.gov/servlets/purl/1753226. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1753226,

  title        = {Materials Data on ZrSiO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrSiO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr is bonded to six equivalent O atoms to form distorted edge-sharing ZrO6 octahedra. There are two shorter (2.22 Å) and four longer (2.25 Å) Zr–O bond lengths. Si is bonded in a square co-planar geometry to four equivalent O atoms. All Si–O bond lengths are 2.35 Å. O is bonded to three equivalent Zr and two equivalent Si atoms to form a mixture of distorted edge and corner-sharing OZr3Si2 trigonal bipyramids.},

  doi          = {10.17188/1753226},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1753226

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