Materials Data on Mg2B2O5 by Materials Project

doi:10.17188/1268042

Title: Materials Data on Mg2B2O5 by Materials Project

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Abstract

Mg2B2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form distorted edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.00–2.27 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.04–2.18 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.43 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Mg2+ and one B3+ atom to form a mixture of distorted edge and corner-sharing OMg3B trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one B3+ atom. In the third O2- site, O2-more »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-5547

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; Mg2B2O5; B-Mg-O

OSTI Identifier:: 1268042

DOI:: https://doi.org/10.17188/1268042

Citation Formats


                    The Materials Project. Materials Data on Mg2B2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268042.

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                    The Materials Project. Materials Data on Mg2B2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268042

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                    The Materials Project. 2020.  
"Materials Data on Mg2B2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268042.  https://www.osti.gov/servlets/purl/1268042. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1268042,

  title        = {Materials Data on Mg2B2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2B2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form distorted edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.00–2.27 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.04–2.18 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.43 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Mg2+ and one B3+ atom to form a mixture of distorted edge and corner-sharing OMg3B trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one B3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one B3+ atom. In the fifth O2- site, O2- is bonded to three Mg2+ and one B3+ atom to form a mixture of distorted edge and corner-sharing OMg3B tetrahedra.},

  doi          = {10.17188/1268042},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1268042

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