Materials Data on MnTe2O5 by Materials Project

doi:10.17188/1194651

Title: Materials Data on MnTe2O5 by Materials Project

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Abstract

MnTe2O5 crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.42 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.13 Å) and two longer (2.50 Å) Mn–O bond lengths. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.29 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mn2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Mn2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Mn2+ and two equivalent Te4+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Apr 24 00:00:00 EDT 2020

Other Number(s):: mp-19503

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; MnTe2O5; Mn-O-Te

OSTI Identifier:: 1194651

DOI:: https://doi.org/10.17188/1194651

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                    The Materials Project. Materials Data on MnTe2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194651.

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                    The Materials Project. Materials Data on MnTe2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194651

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                    The Materials Project. 2020.  
"Materials Data on MnTe2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194651.  https://www.osti.gov/servlets/purl/1194651. Pub date:Fri Apr 24 00:00:00 EDT 2020

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@article{osti_1194651,

  title        = {Materials Data on MnTe2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnTe2O5 crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.42 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.13 Å) and two longer (2.50 Å) Mn–O bond lengths. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.29 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mn2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Mn2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Mn2+ and two equivalent Te4+ atoms.},

  doi          = {10.17188/1194651},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Apr 24 00:00:00 EDT 2020},

  month        = {Fri Apr 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194651

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