Materials Data on Al(SiO3)2 by Materials Project

doi:10.17188/1697142

Title: Materials Data on Al(SiO3)2 by Materials Project

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Abstract

Al(SiO3)2 is quartz (beta)-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Al is bonded to four equivalent O atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.75 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.63 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom.

Authors:: The Materials Project

Publication Date:: Sun Jan 13 00:00:00 EST 2019

Other Number(s):: mp-1229033

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; Al(SiO3)2; Al-O-Si

OSTI Identifier:: 1697142

DOI:: https://doi.org/10.17188/1697142

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                    The Materials Project. Materials Data on Al(SiO3)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1697142.

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                    The Materials Project. Materials Data on Al(SiO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1697142

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                    The Materials Project. 2019.  
"Materials Data on Al(SiO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1697142.  https://www.osti.gov/servlets/purl/1697142. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1697142,

  title        = {Materials Data on Al(SiO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al(SiO3)2 is quartz (beta)-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Al is bonded to four equivalent O atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.75 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.63 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom.},

  doi          = {10.17188/1697142},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Jan 13 00:00:00 EST 2019},

  month        = {Sun Jan 13 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1697142

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