Materials Data on LaSb5O12 by Materials Project

doi:10.17188/1205644

Title: Materials Data on LaSb5O12 by Materials Project

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Abstract

LaSb5O12 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share faces with six equivalent SbO6 octahedra. There are six shorter (2.70 Å) and six longer (2.74 Å) La–O bond lengths. There are two inequivalent Sb+4.20+ sites. In the first Sb+4.20+ site, Sb+4.20+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent SbO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. All Sb–O bond lengths are 2.01 Å. In the second Sb+4.20+ site, Sb+4.20+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Sb+4.20+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Sb+4.20+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-31419

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; LaSb5O12; La-O-Sb

OSTI Identifier:: 1205644

DOI:: https://doi.org/10.17188/1205644

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                    The Materials Project. Materials Data on LaSb5O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205644.

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                    The Materials Project. Materials Data on LaSb5O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205644

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                    The Materials Project. 2020.  
"Materials Data on LaSb5O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205644.  https://www.osti.gov/servlets/purl/1205644. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1205644,

  title        = {Materials Data on LaSb5O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaSb5O12 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share faces with six equivalent SbO6 octahedra. There are six shorter (2.70 Å) and six longer (2.74 Å) La–O bond lengths. There are two inequivalent Sb+4.20+ sites. In the first Sb+4.20+ site, Sb+4.20+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent SbO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. All Sb–O bond lengths are 2.01 Å. In the second Sb+4.20+ site, Sb+4.20+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Sb+4.20+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Sb+4.20+ atoms.},

  doi          = {10.17188/1205644},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205644

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