Materials Data on Zn(BO3)3 by Materials Project

doi:10.17188/1734106

Title: Materials Data on Zn(BO3)3 by Materials Project

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Abstract

Zn(BO3)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Zn(BO3)3 ribbons oriented in the (0, 0, 1) direction. Zn is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.96–1.99 Å. There are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.42–1.52 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.37 Å) and one longer (1.43 Å) B–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a single-bond geometry to one B atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Zn and one B atom. In the fourth O site, O is bonded in a single-bond geometry to one Zn atom. In the fifth O site, O is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1178675

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; Zn(BO3)3; B-O-Zn

OSTI Identifier:: 1734106

DOI:: https://doi.org/10.17188/1734106

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                    The Materials Project. Materials Data on Zn(BO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734106.

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                    The Materials Project. Materials Data on Zn(BO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734106

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                    The Materials Project. 2020.  
"Materials Data on Zn(BO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734106.  https://www.osti.gov/servlets/purl/1734106. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1734106,

  title        = {Materials Data on Zn(BO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn(BO3)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Zn(BO3)3 ribbons oriented in the (0, 0, 1) direction. Zn is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.96–1.99 Å. There are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.42–1.52 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.37 Å) and one longer (1.43 Å) B–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a single-bond geometry to one B atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Zn and one B atom. In the fourth O site, O is bonded in a single-bond geometry to one Zn atom. In the fifth O site, O is bonded in a trigonal planar geometry to one Zn and two equivalent B atoms. In the sixth O site, O is bonded in a single-bond geometry to one B atom.},

  doi          = {10.17188/1734106},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1734106

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