Materials Data on Mn3TeO6 by Materials Project

doi:10.17188/1300017

Title: Materials Data on Mn3TeO6 by Materials Project

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Abstract

Mn3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TeO6 octahedra, corners with three equivalent MnO6 pentagonal pyramids, and a faceface with one MnO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 38–43°. There are three shorter (2.14 Å) and three longer (2.33 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.16 Å) and three longer (2.38 Å) Mn–O bond lengths. In the third Mn2+ site, Mn2+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent MnO6 octahedra, edges with three equivalent TeO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are three shorter (2.13 Å) and three longer (2.34 Å) Mn–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with three equivalent MnO6 pentagonal pyramids.more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-770690

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; Mn3TeO6; Mn-O-Te

OSTI Identifier:: 1300017

DOI:: https://doi.org/10.17188/1300017

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                    The Materials Project. Materials Data on Mn3TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300017.

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                    The Materials Project. Materials Data on Mn3TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300017

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                    The Materials Project. 2020.  
"Materials Data on Mn3TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300017.  https://www.osti.gov/servlets/purl/1300017. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1300017,

  title        = {Materials Data on Mn3TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TeO6 octahedra, corners with three equivalent MnO6 pentagonal pyramids, and a faceface with one MnO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 38–43°. There are three shorter (2.14 Å) and three longer (2.33 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.16 Å) and three longer (2.38 Å) Mn–O bond lengths. In the third Mn2+ site, Mn2+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent MnO6 octahedra, edges with three equivalent TeO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are three shorter (2.13 Å) and three longer (2.34 Å) Mn–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with three equivalent MnO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 38–43°. There is three shorter (1.96 Å) and three longer (1.98 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to three Mn2+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Mn2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMn3Te trigonal pyramids.},

  doi          = {10.17188/1300017},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1300017

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