Materials Data on MnGeTe2 by Materials Project

doi:10.17188/1744633

Title: Materials Data on MnGeTe2 by Materials Project

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Abstract

MnGeTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent MnTe6 octahedra, edges with four equivalent MnTe6 octahedra, and edges with eight equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Mn–Te bond lengths. Ge2+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with six equivalent GeTe6 octahedra, edges with four equivalent GeTe6 octahedra, and edges with eight equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Ge–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four equivalent Mn2+ and two equivalent Ge2+ atoms to form a mixture of edge and corner-sharing TeMn4Ge2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to two equivalent Mn2+ and four equivalent Ge2+ atoms to form TeMn2Ge4 octahedra that share corners with six equivalent TeMn2Ge4 octahedra and edges with twelve TeMn4Ge2 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1221610

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; MnGeTe2; Ge-Mn-Te

OSTI Identifier:: 1744633

DOI:: https://doi.org/10.17188/1744633

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                    The Materials Project. Materials Data on MnGeTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744633.

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                    The Materials Project. Materials Data on MnGeTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744633

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                    The Materials Project. 2020.  
"Materials Data on MnGeTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744633.  https://www.osti.gov/servlets/purl/1744633. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1744633,

  title        = {Materials Data on MnGeTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnGeTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent MnTe6 octahedra, edges with four equivalent MnTe6 octahedra, and edges with eight equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Mn–Te bond lengths. Ge2+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with six equivalent GeTe6 octahedra, edges with four equivalent GeTe6 octahedra, and edges with eight equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.95 Å) and two longer (2.97 Å) Ge–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four equivalent Mn2+ and two equivalent Ge2+ atoms to form a mixture of edge and corner-sharing TeMn4Ge2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to two equivalent Mn2+ and four equivalent Ge2+ atoms to form TeMn2Ge4 octahedra that share corners with six equivalent TeMn2Ge4 octahedra and edges with twelve TeMn4Ge2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1744633},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744633

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