Materials Data on MnTe by Materials Project

doi:10.17188/1281878

Title: Materials Data on MnTe by Materials Project

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Abstract

MnTe is Hausmannite-like structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six Te2- atoms to form distorted MnTe6 octahedra that share corners with nine MnTe4 tetrahedra, edges with six MnTe6 octahedra, and a faceface with one MnTe4 tetrahedra. There are a spread of Mn–Te bond distances ranging from 2.76–3.15 Å. In the second Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with nine MnTe6 octahedra, corners with two equivalent MnTe4 tetrahedra, edges with two equivalent MnTe4 tetrahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of Mn–Te bond distances ranging from 2.61–2.71 Å. In the third Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with nine MnTe6 octahedra, corners with two equivalent MnTe4 tetrahedra, edges with two equivalent MnTe4 tetrahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of Mn–Te bond distances ranging from 2.61–2.70 Å. In the fourth Mn2+ site, Mn2+more »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-672389

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; MnTe; Mn-Te

OSTI Identifier:: 1281878

DOI:: https://doi.org/10.17188/1281878

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                    The Materials Project. Materials Data on MnTe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281878.

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                    The Materials Project. Materials Data on MnTe by Materials Project.  United States.  doi:https://doi.org/10.17188/1281878

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                    The Materials Project. 2020.  
"Materials Data on MnTe by Materials Project".  United States.  doi:https://doi.org/10.17188/1281878.  https://www.osti.gov/servlets/purl/1281878. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1281878,

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

  author       = {The Materials Project},

  abstractNote = {MnTe is Hausmannite-like structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six Te2- atoms to form distorted MnTe6 octahedra that share corners with nine MnTe4 tetrahedra, edges with six MnTe6 octahedra, and a faceface with one MnTe4 tetrahedra. There are a spread of Mn–Te bond distances ranging from 2.76–3.15 Å. In the second Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with nine MnTe6 octahedra, corners with two equivalent MnTe4 tetrahedra, edges with two equivalent MnTe4 tetrahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of Mn–Te bond distances ranging from 2.61–2.71 Å. In the third Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with nine MnTe6 octahedra, corners with two equivalent MnTe4 tetrahedra, edges with two equivalent MnTe4 tetrahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of Mn–Te bond distances ranging from 2.61–2.70 Å. In the fourth Mn2+ site, Mn2+ is bonded to six Te2- atoms to form distorted MnTe6 octahedra that share corners with nine MnTe4 tetrahedra, edges with six MnTe6 octahedra, and a faceface with one MnTe4 tetrahedra. There are a spread of Mn–Te bond distances ranging from 2.77–3.14 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Mn2+ atoms to form a mixture of distorted corner and edge-sharing TeMn4 trigonal pyramids. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to six Mn2+ atoms. In the third Te2- site, Te2- is bonded to four Mn2+ atoms to form a mixture of distorted corner and edge-sharing TeMn4 trigonal pyramids. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Mn2+ atoms.},

  doi          = {10.17188/1281878},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281878

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Materials Data on MnTe by Materials Project

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MnTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.85 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.
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Materials Data on MnTe by Materials Project

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Materials Data on MnTe by Materials Project

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MnTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Mn–Te bond distances ranging from 2.81–2.86 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.
Materials Data on MnTe by Materials Project

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MnTe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. There are a spread of Mn–Te bond distances ranging from 2.78–2.99 Å. Te2- is bonded to six equivalent Mn2+ atoms to form a mixture of distorted corner, edge, and face-sharing TeMn6 octahedra. The corner-sharing octahedra tilt angles range from 42–52°.

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