Materials Data on Zn2SiO4 by Materials Project

doi:10.17188/1351420

Title: Materials Data on Zn2SiO4 by Materials Project

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Abstract

Zn2SiO4 crystallizes in the monoclinic P2_1/c 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 distorted ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are two shorter (1.99 Å) and two longer (2.01 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.11 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with eight ZnO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Zn2+ and one Si4+ atom. Inmore »« less

Publication Date:: 2020-05-01

Other Number(s):: mp-1020721

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:: 1351420

DOI:: https://doi.org/10.17188/1351420

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                    Materials Data on Zn2SiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1351420.

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                    Materials Data on Zn2SiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1351420

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                    2020.  
"Materials Data on Zn2SiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1351420.  https://www.osti.gov/servlets/purl/1351420. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1351420,

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

  
  abstractNote = {Zn2SiO4 crystallizes in the monoclinic P2_1/c 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 distorted ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are two shorter (1.99 Å) and two longer (2.01 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.11 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with eight ZnO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Zn2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one Si4+ atom.},

  doi          = {10.17188/1351420},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1351420

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Materials Data on Zn2SiO4 by Materials Project

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Zn2SiO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.01–2.57 Å. Si4+ is bonded to six O2- atoms to form corner-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Si–O bond distances ranging from 1.76–1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Zn2+ and two equivalent Si4+ atoms. In the second O2- site, O2- ismore »« less
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