Materials Data on La3SbO7 by Materials Project

doi:10.17188/1676905

Title: Materials Data on La3SbO7 by Materials Project

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Abstract

La3SbO7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.45–3.01 Å. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, corners with three equivalent LaO7 pentagonal bipyramids, edges with two equivalent SbO6 octahedra, and edges with two equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 36–40°. There are a spread of La–O bond distances ranging from 2.36–2.74 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent LaO7 pentagonal bipyramids, and edges with four equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–O bond distances ranging from 2.01–2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Sb5+ atom. In the second O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1211549

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; La3SbO7; La-O-Sb

OSTI Identifier:: 1676905

DOI:: https://doi.org/10.17188/1676905

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                    The Materials Project. Materials Data on La3SbO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676905.

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                    The Materials Project. Materials Data on La3SbO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676905

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                    The Materials Project. 2020.  
"Materials Data on La3SbO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676905.  https://www.osti.gov/servlets/purl/1676905. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1676905,

  title        = {Materials Data on La3SbO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3SbO7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.45–3.01 Å. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, corners with three equivalent LaO7 pentagonal bipyramids, edges with two equivalent SbO6 octahedra, and edges with two equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 36–40°. There are a spread of La–O bond distances ranging from 2.36–2.74 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent LaO7 pentagonal bipyramids, and edges with four equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–O bond distances ranging from 2.01–2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.},

  doi          = {10.17188/1676905},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1676905

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