Materials Data on SrTe3O8 by Materials Project

doi:10.17188/1206279

Title: Materials Data on SrTe3O8 by Materials Project

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Abstract

SrTe3O8 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.54 Å) and four longer (2.84 Å) Sr–O bond lengths. There are two inequivalent Te+4.67+ sites. In the first Te+4.67+ site, Te+4.67+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share corners with three equivalent TeO6 octahedra and an edgeedge with one TeO5 square pyramid. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Te–O bond distances ranging from 1.98–2.22 Å. In the second Te+4.67+ site, Te+4.67+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. There is four shorter (1.96 Å) and two longer (1.97 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Sr2+ and two equivalent Te+4.67+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two Te+4.67+ atoms to form a mixture of distorted corner and edge-sharing OSr2Te2 tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to twomore » Te+4.67+ atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-3252

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; SrTe3O8; O-Sr-Te

OSTI Identifier:: 1206279

DOI:: https://doi.org/10.17188/1206279

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                    The Materials Project. Materials Data on SrTe3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206279.

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                    The Materials Project. Materials Data on SrTe3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206279

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                    The Materials Project. 2020.  
"Materials Data on SrTe3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206279.  https://www.osti.gov/servlets/purl/1206279. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1206279,

  title        = {Materials Data on SrTe3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrTe3O8 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.54 Å) and four longer (2.84 Å) Sr–O bond lengths. There are two inequivalent Te+4.67+ sites. In the first Te+4.67+ site, Te+4.67+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share corners with three equivalent TeO6 octahedra and an edgeedge with one TeO5 square pyramid. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Te–O bond distances ranging from 1.98–2.22 Å. In the second Te+4.67+ site, Te+4.67+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. There is four shorter (1.96 Å) and two longer (1.97 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Sr2+ and two equivalent Te+4.67+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two Te+4.67+ atoms to form a mixture of distorted corner and edge-sharing OSr2Te2 tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+4.67+ atoms.},

  doi          = {10.17188/1206279},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206279

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