Materials Data on SrLa2O4 by Materials Project

doi:10.17188/1288623

Title: Materials Data on SrLa2O4 by Materials Project

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Abstract

SrLa2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.18 Å. La3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of La–O bond distances ranging from 2.37–2.54 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Sr2+ and four equivalent La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent La3+ atoms to form OSr2La2 tetrahedra that share corners with two equivalent OSr2La2 tetrahedra, corners with ten equivalent OSr2La3 trigonal bipyramids, and edges with two equivalent OSr2La3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent La3+ atoms to form distorted OSr2La3 trigonal bipyramids that share corners with five equivalent OSr2La2 tetrahedra, corners with two equivalent OSr2La3 trigonal bipyramids, an edgeedge with one OSr2La2 tetrahedra, and edges with five equivalent OSr2La3 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-752533

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; SrLa2O4; La-O-Sr

OSTI Identifier:: 1288623

DOI:: https://doi.org/10.17188/1288623

Citation Formats


                    The Materials Project. Materials Data on SrLa2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288623.

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                    The Materials Project. Materials Data on SrLa2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288623

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                    The Materials Project. 2020.  
"Materials Data on SrLa2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288623.  https://www.osti.gov/servlets/purl/1288623. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1288623,

  title        = {Materials Data on SrLa2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrLa2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.18 Å. La3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of La–O bond distances ranging from 2.37–2.54 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Sr2+ and four equivalent La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent La3+ atoms to form OSr2La2 tetrahedra that share corners with two equivalent OSr2La2 tetrahedra, corners with ten equivalent OSr2La3 trigonal bipyramids, and edges with two equivalent OSr2La3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent La3+ atoms to form distorted OSr2La3 trigonal bipyramids that share corners with five equivalent OSr2La2 tetrahedra, corners with two equivalent OSr2La3 trigonal bipyramids, an edgeedge with one OSr2La2 tetrahedra, and edges with five equivalent OSr2La3 trigonal bipyramids.},

  doi          = {10.17188/1288623},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1288623

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