Materials Data on Zn2SiO4 by Materials Project

doi:10.17188/1270153

Title: Materials Data on Zn2SiO4 by Materials Project

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Abstract

Zn2SiO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six equivalent ZnO6 octahedra. All Zn–O bond lengths are 2.13 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with twelve equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Si–O bond lengths are 1.68 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Zn2+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-558096

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; Zn2SiO4; O-Si-Zn

OSTI Identifier:: 1270153

DOI:: https://doi.org/10.17188/1270153

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                    The Materials Project. Materials Data on Zn2SiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270153.

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                    The Materials Project. Materials Data on Zn2SiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270153

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                    The Materials Project. 2020.  
"Materials Data on Zn2SiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270153.  https://www.osti.gov/servlets/purl/1270153. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1270153,

  title        = {Materials Data on Zn2SiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn2SiO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six equivalent ZnO6 octahedra. All Zn–O bond lengths are 2.13 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with twelve equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Si–O bond lengths are 1.68 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Zn2+ and one Si4+ atom.},

  doi          = {10.17188/1270153},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1270153

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Materials Data on Zn2SiO4 by Materials Project

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Zn2SiO4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four ZnO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.01 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four ZnO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There is one shorter (1.97 Å) and three longer (1.98more »« less
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