Materials Data on MnCd3Te4 by Materials Project

doi:10.17188/1698512

Title: Materials Data on MnCd3Te4 by Materials Project

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Abstract

MnCd3Te4 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.76 Å) Mn–Te bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.85 Å) and two longer (2.87 Å) Cd–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four Cd2+ atoms to form corner-sharing TeCd4 tetrahedra. In the third Te2- site, Te2- is bonded to twomore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1221667

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; MnCd3Te4; Cd-Mn-Te

OSTI Identifier:: 1698512

DOI:: https://doi.org/10.17188/1698512

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                    The Materials Project. Materials Data on MnCd3Te4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698512.

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                    The Materials Project. Materials Data on MnCd3Te4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698512

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                    The Materials Project. 2020.  
"Materials Data on MnCd3Te4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698512.  https://www.osti.gov/servlets/purl/1698512. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1698512,

  title        = {Materials Data on MnCd3Te4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnCd3Te4 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.76 Å) Mn–Te bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.85 Å) and two longer (2.87 Å) Cd–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four Cd2+ atoms to form corner-sharing TeCd4 tetrahedra. In the third Te2- site, Te2- is bonded to two equivalent Mn2+ and two equivalent Cd2+ atoms to form corner-sharing TeMn2Cd2 tetrahedra.},

  doi          = {10.17188/1698512},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698512

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