Materials Data on Fe2(TeO3)3 by Materials Project

doi:10.17188/1277493

Title: Materials Data on Fe2(TeO3)3 by Materials Project

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Abstract

Fe2(TeO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of Fe–O bond distances ranging from 2.02–2.25 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–2.71 Å. In the second Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–2.64 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Fe3+ and three Te4+ atoms. In the second O2- site, O2- is bonded to four Te4+ atoms to form distorted corner-sharing OTe4 tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Fe3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe3+ and one Te4+ atom. In the fifth O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 21 00:00:00 EDT 2017

Other Number(s):: mp-606023

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; Fe2(TeO3)3; Fe-O-Te

OSTI Identifier:: 1277493

DOI:: https://doi.org/10.17188/1277493

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                    The Materials Project. Materials Data on Fe2(TeO3)3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1277493.

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                    The Materials Project. Materials Data on Fe2(TeO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277493

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                    The Materials Project. 2017.  
"Materials Data on Fe2(TeO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277493.  https://www.osti.gov/servlets/purl/1277493. Pub date:Fri Jul 21 00:00:00 EDT 2017

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@article{osti_1277493,

  title        = {Materials Data on Fe2(TeO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2(TeO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of Fe–O bond distances ranging from 2.02–2.25 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–2.71 Å. In the second Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–2.64 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Fe3+ and three Te4+ atoms. In the second O2- site, O2- is bonded to four Te4+ atoms to form distorted corner-sharing OTe4 tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Fe3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+ and two Te4+ atoms.},

  doi          = {10.17188/1277493},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 21 00:00:00 EDT 2017},

  month        = {Fri Jul 21 00:00:00 EDT 2017}

}

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