Materials Data on Zn2SiO4 by Materials Project

doi:10.17188/1351457

Title: Materials Data on Zn2SiO4 by Materials Project

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Abstract

Zn2SiO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six ZnO6 octahedra. There are four shorter (2.10 Å) and two longer (2.19 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.08–2.17 Å. In the third Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with two equivalent ZnO6 octahedra, corners with four equivalent SiO4 tetrahedra, and edges with seven ZnO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Zn–O bond distances ranging from 2.08–2.20 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with ten ZnO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–61°. There is three shorter (1.65 Å) and onemore »« less

Publication Date:: 2020-05-02

Other Number(s):: mp-1020717

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; O-Si-Zn; Zn2SiO4; crystal structure

OSTI Identifier:: 1351457

DOI:: https://doi.org/10.17188/1351457

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                    Materials Data on Zn2SiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1351457.

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                    Materials Data on Zn2SiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1351457

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                    2020.  
"Materials Data on Zn2SiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1351457.  https://www.osti.gov/servlets/purl/1351457. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1351457,

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

  
  abstractNote = {Zn2SiO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six ZnO6 octahedra. There are four shorter (2.10 Å) and two longer (2.19 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.08–2.17 Å. In the third Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with two equivalent ZnO6 octahedra, corners with four equivalent SiO4 tetrahedra, and edges with seven ZnO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Zn–O bond distances ranging from 2.08–2.20 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with ten ZnO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–61°. There is three shorter (1.65 Å) and one longer (1.72 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom. In the second O2- site, O2- is bonded to five Zn2+ atoms to form edge-sharing OZn5 square pyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom.},

  doi          = {10.17188/1351457},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1351457

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Materials Data on Zn2SiO4 by Materials Project

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