Materials Data on Zn2SiHO5 by Materials Project

doi:10.17188/1685853

Title: Materials Data on Zn2SiHO5 by Materials Project

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Abstract

(Zn4Si2O7(OH)2)2O2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional and consists of two water molecules and one Zn4Si2O7(OH)2 framework. In the Zn4Si2O7(OH)2 framework, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with four equivalent ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–2.01 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with six equivalent ZnO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one Si atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one H atom. In the fourth O site, O is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1106222

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; Zn2SiHO5; H-O-Si-Zn

OSTI Identifier:: 1685853

DOI:: https://doi.org/10.17188/1685853

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                    The Materials Project. Materials Data on Zn2SiHO5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685853.

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                    The Materials Project. Materials Data on Zn2SiHO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685853

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                    The Materials Project. 2019.  
"Materials Data on Zn2SiHO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685853.  https://www.osti.gov/servlets/purl/1685853. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1685853,

  title        = {Materials Data on Zn2SiHO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Zn4Si2O7(OH)2)2O2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional and consists of two water molecules and one Zn4Si2O7(OH)2 framework. In the Zn4Si2O7(OH)2 framework, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with four equivalent ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–2.01 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with six equivalent ZnO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one Si atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one H atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.},

  doi          = {10.17188/1685853},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1685853

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