Materials Data on AlPO4 by Materials Project

doi:10.17188/1207800

Title: Materials Data on AlPO4 by Materials Project

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Abstract

AlPO4 is low (alpha) Cristobalite-derived structured and crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Al–O bond lengths are 1.75 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-4051

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; AlPO4; Al-O-P

OSTI Identifier:: 1207800

DOI:: https://doi.org/10.17188/1207800

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                    The Materials Project. Materials Data on AlPO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207800.

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                    The Materials Project. Materials Data on AlPO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207800

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                    The Materials Project. 2020.  
"Materials Data on AlPO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207800.  https://www.osti.gov/servlets/purl/1207800. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207800,

  title        = {Materials Data on AlPO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AlPO4 is low (alpha) Cristobalite-derived structured and crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Al–O bond lengths are 1.75 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom.},

  doi          = {10.17188/1207800},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207800

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