Materials Data on La8Te3SeO8 by Materials Project

doi:10.17188/1751121

Title: Materials Data on La8Te3SeO8 by Materials Project

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Abstract

La8Te3SeO8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.55 Å. All La–O bond lengths are 2.39 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the fourth La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.58 Å. All La–O bond lengths are 2.38 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight La3+ atoms. In the second Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight equivalent La3+more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1223117

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; La8Te3SeO8; La-O-Se-Te

OSTI Identifier:: 1751121

DOI:: https://doi.org/10.17188/1751121

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                    The Materials Project. Materials Data on La8Te3SeO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751121.

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                    The Materials Project. Materials Data on La8Te3SeO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751121

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                    The Materials Project. 2020.  
"Materials Data on La8Te3SeO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751121.  https://www.osti.gov/servlets/purl/1751121. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751121,

  title        = {Materials Data on La8Te3SeO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La8Te3SeO8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.55 Å. All La–O bond lengths are 2.39 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the fourth La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.58 Å. All La–O bond lengths are 2.38 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight La3+ atoms. In the second Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight equivalent La3+ atoms. Se2- is bonded in a body-centered cubic geometry to eight equivalent La3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.},

  doi          = {10.17188/1751121},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1751121

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