Materials Data on Si2B2O5 by Materials Project

doi:10.17188/1313917

Title: Materials Data on Si2B2O5 by Materials Project

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Abstract

B2Si2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. B is bonded to five O atoms to form distorted BO5 square pyramids that share corners with five equivalent BO5 square pyramids and faces with four equivalent SiO12 cuboctahedra. There is one shorter (1.44 Å) and four longer (1.74 Å) B–O bond length. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Si–O bond lengths are 2.32 Å. In the second Si site, Si is bonded to twelve O atoms to form distorted SiO12 cuboctahedra that share corners with four equivalent SiO12 cuboctahedra, faces with four equivalent SiO12 cuboctahedra, and faces with eight equivalent BO5 square pyramids. There are four shorter (2.41 Å) and eight longer (2.49 Å) Si–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent B and four Si atoms. In the second O site, O is bonded in a linear geometry to two equivalent B and four equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-972793

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; Si2B2O5; B-O-Si

OSTI Identifier:: 1313917

DOI:: https://doi.org/10.17188/1313917

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                    The Materials Project. Materials Data on Si2B2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313917.

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                    The Materials Project. Materials Data on Si2B2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313917

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                    The Materials Project. 2020.  
"Materials Data on Si2B2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313917.  https://www.osti.gov/servlets/purl/1313917. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1313917,

  title        = {Materials Data on Si2B2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {B2Si2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. B is bonded to five O atoms to form distorted BO5 square pyramids that share corners with five equivalent BO5 square pyramids and faces with four equivalent SiO12 cuboctahedra. There is one shorter (1.44 Å) and four longer (1.74 Å) B–O bond length. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Si–O bond lengths are 2.32 Å. In the second Si site, Si is bonded to twelve O atoms to form distorted SiO12 cuboctahedra that share corners with four equivalent SiO12 cuboctahedra, faces with four equivalent SiO12 cuboctahedra, and faces with eight equivalent BO5 square pyramids. There are four shorter (2.41 Å) and eight longer (2.49 Å) Si–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent B and four Si atoms. In the second O site, O is bonded in a linear geometry to two equivalent B and four equivalent Si atoms.},

  doi          = {10.17188/1313917},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313917

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