Materials Data on Zn8B3H3O14 by Materials Project

doi:10.17188/1269000

Title: Materials Data on Zn8B3H3O14 by Materials Project

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Abstract

Zn8B3H3O14 crystallizes in the trigonal R32 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 corner-sharing ZnO4 tetrahedra. There are one shorter (2.00 Å) and three longer (2.01 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.96–2.00 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.40 Å) B–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one H1+ atom. In the second O2- site, O2- is bonded in a tetrahedral geometry to four Zn2+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to twomore » equivalent Zn2+ and one B3+ atom.« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-555808

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; Zn8B3H3O14; B-H-O-Zn

OSTI Identifier:: 1269000

DOI:: https://doi.org/10.17188/1269000

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                    The Materials Project. Materials Data on Zn8B3H3O14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269000.

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                    The Materials Project. Materials Data on Zn8B3H3O14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269000

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                    The Materials Project. 2020.  
"Materials Data on Zn8B3H3O14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269000.  https://www.osti.gov/servlets/purl/1269000. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1269000,

  title        = {Materials Data on Zn8B3H3O14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn8B3H3O14 crystallizes in the trigonal R32 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 corner-sharing ZnO4 tetrahedra. There are one shorter (2.00 Å) and three longer (2.01 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.96–2.00 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.40 Å) B–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one H1+ atom. In the second O2- site, O2- is bonded in a tetrahedral geometry to four Zn2+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one B3+ atom.},

  doi          = {10.17188/1269000},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269000

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