Materials Data on MnCdHgTe3 by Materials Project

doi:10.17188/1662222

Title: Materials Data on MnCdHgTe3 by Materials Project

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Abstract

MnHgCdTe3 is Stannite-like structured and crystallizes in the monoclinic Cm 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, corners with five equivalent HgTe4 tetrahedra, and corners with five equivalent CdTe4 tetrahedra. There are two shorter (2.73 Å) and two longer (2.74 Å) Mn–Te bond lengths. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with two equivalent HgTe4 tetrahedra, corners with five equivalent MnTe4 tetrahedra, and corners with five equivalent CdTe4 tetrahedra. There are three shorter (2.88 Å) and one longer (2.89 Å) Hg–Te bond lengths. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra, corners with five equivalent MnTe4 tetrahedra, and corners with five equivalent HgTe4 tetrahedra. There are three shorter (2.86 Å) and one longer (2.88 Å) Cd–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+, one Hg2+, and two equivalent Cd2+ atoms to form corner-sharing TeMnCd2Hg tetrahedra. In the second Te2- site, Te2- is bonded to one Mn2+, two equivalent Hg2+, and one Cd2+more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1221670

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; MnCdHgTe3; Cd-Hg-Mn-Te

OSTI Identifier:: 1662222

DOI:: https://doi.org/10.17188/1662222

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                    The Materials Project. Materials Data on MnCdHgTe3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1662222.

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                    The Materials Project. Materials Data on MnCdHgTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662222

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                    The Materials Project. 2019.  
"Materials Data on MnCdHgTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662222.  https://www.osti.gov/servlets/purl/1662222. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1662222,

  title        = {Materials Data on MnCdHgTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnHgCdTe3 is Stannite-like structured and crystallizes in the monoclinic Cm 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, corners with five equivalent HgTe4 tetrahedra, and corners with five equivalent CdTe4 tetrahedra. There are two shorter (2.73 Å) and two longer (2.74 Å) Mn–Te bond lengths. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with two equivalent HgTe4 tetrahedra, corners with five equivalent MnTe4 tetrahedra, and corners with five equivalent CdTe4 tetrahedra. There are three shorter (2.88 Å) and one longer (2.89 Å) Hg–Te bond lengths. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra, corners with five equivalent MnTe4 tetrahedra, and corners with five equivalent HgTe4 tetrahedra. There are three shorter (2.86 Å) and one longer (2.88 Å) Cd–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+, one Hg2+, and two equivalent Cd2+ atoms to form corner-sharing TeMnCd2Hg tetrahedra. In the second Te2- site, Te2- is bonded to one Mn2+, two equivalent Hg2+, and one Cd2+ atom to form corner-sharing TeMnCdHg2 tetrahedra. In the third Te2- site, Te2- is bonded to two equivalent Mn2+, one Hg2+, and one Cd2+ atom to form corner-sharing TeMn2CdHg tetrahedra.},

  doi          = {10.17188/1662222},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1662222

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