Materials Data on SrLaAl3O7 by Materials Project

doi:10.17188/1710930

Title: Materials Data on SrLaAl3O7 by Materials Project

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Abstract

LaSrAl3O7 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.97 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.93 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.75 Å) and three longer (1.78 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.80 Å) Al–O bond length. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.79 Å) Al–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Al3+more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1218220

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; SrLaAl3O7; Al-La-O-Sr

OSTI Identifier:: 1710930

DOI:: https://doi.org/10.17188/1710930

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                    The Materials Project. Materials Data on SrLaAl3O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1710930.

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                    The Materials Project. Materials Data on SrLaAl3O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1710930

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                    The Materials Project. 2020.  
"Materials Data on SrLaAl3O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1710930.  https://www.osti.gov/servlets/purl/1710930. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1710930,

  title        = {Materials Data on SrLaAl3O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaSrAl3O7 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.97 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.93 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.75 Å) and three longer (1.78 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.80 Å) Al–O bond length. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.79 Å) Al–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Al2 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one La3+, and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one La3+, and two Al3+ atoms. In the fifth O2- site, O2- is bonded to one Sr2+, two equivalent La3+, and one Al3+ atom to form a mixture of distorted edge and corner-sharing OSrLa2Al tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one La3+, and one Al3+ atom.},

  doi          = {10.17188/1710930},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1710930

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