Materials Data on MnCd4Te5 by Materials Project

doi:10.17188/1685089

Title: Materials Data on MnCd4Te5 by Materials Project

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Abstract

MnCd4Te5 is Chalcopyrite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with twelve equivalent CdTe4 tetrahedra. All Mn–Te bond lengths are 2.74 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with three equivalent MnTe4 tetrahedra and corners with nine equivalent CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four equivalent Cd2+ atoms to form corner-sharing TeCd4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1221733

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; MnCd4Te5; Cd-Mn-Te

OSTI Identifier:: 1685089

DOI:: https://doi.org/10.17188/1685089

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                    The Materials Project. Materials Data on MnCd4Te5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685089.

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                    The Materials Project. Materials Data on MnCd4Te5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685089

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                    The Materials Project. 2019.  
"Materials Data on MnCd4Te5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685089.  https://www.osti.gov/servlets/purl/1685089. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1685089,

  title        = {Materials Data on MnCd4Te5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnCd4Te5 is Chalcopyrite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with twelve equivalent CdTe4 tetrahedra. All Mn–Te bond lengths are 2.74 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with three equivalent MnTe4 tetrahedra and corners with nine equivalent CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four equivalent Cd2+ atoms to form corner-sharing TeCd4 tetrahedra.},

  doi          = {10.17188/1685089},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685089

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