Materials Data on Mn3CrTe4 by Materials Project

doi:10.17188/1732928

Title: Materials Data on Mn3CrTe4 by Materials Project

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Abstract

CrMn3Te4 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Cr–Te bond lengths are 2.85 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.87 Å. In the second Mn2+ site, Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent CrTe6 octahedra, corners with six equivalent MnTe6 octahedra, edges with six equivalent MnTe6 octahedra, a faceface with one CrTe6 octahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are three shorter (2.82 Å) and three longer (2.91 Å) Mn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cr2+more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1221907

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; Mn3CrTe4; Cr-Mn-Te

OSTI Identifier:: 1732928

DOI:: https://doi.org/10.17188/1732928

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                    The Materials Project. Materials Data on Mn3CrTe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732928.

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                    The Materials Project. Materials Data on Mn3CrTe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732928

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                    The Materials Project. 2020.  
"Materials Data on Mn3CrTe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732928.  https://www.osti.gov/servlets/purl/1732928. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1732928,

  title        = {Materials Data on Mn3CrTe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrMn3Te4 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Cr–Te bond lengths are 2.85 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.87 Å. In the second Mn2+ site, Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent CrTe6 octahedra, corners with six equivalent MnTe6 octahedra, edges with six equivalent MnTe6 octahedra, a faceface with one CrTe6 octahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are three shorter (2.82 Å) and three longer (2.91 Å) Mn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cr2+ and three equivalent Mn2+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to six Mn2+ atoms.},

  doi          = {10.17188/1732928},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1732928

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