Materials Data on Dy2Te3Se by Materials Project

doi:10.17188/1740857

Title: Materials Data on Dy2Te3Se by Materials Project

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Abstract

Dy2Te3Se crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to four Te+1.33- and one Se2- atom to form a mixture of edge and corner-sharing DyTe4Se trigonal bipyramids. There are a spread of Dy–Te bond distances ranging from 2.95–3.13 Å. The Dy–Se bond length is 2.82 Å. In the second Dy3+ site, Dy3+ is bonded to four Te+1.33- and one Se2- atom to form a mixture of distorted edge and corner-sharing DyTe4Se trigonal bipyramids. There are a spread of Dy–Te bond distances ranging from 2.94–3.08 Å. The Dy–Se bond length is 2.84 Å. There are three inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a 4-coordinate geometry to two Dy3+ and two equivalent Se2- atoms. There are one shorter (2.69 Å) and one longer (3.91 Å) Te–Se bond lengths. In the second Te+1.33- site, Te+1.33- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the third Te+1.33- site, Te+1.33- is bonded in a 3-coordinate geometry to three Dy3+ and one Se2- atom. The Te–Se bond length is 3.31 Å. Se2- is bonded in a 3-coordinate geometry to twomore » Dy3+ and three Te+1.33- atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1120810

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; Dy2Te3Se; Dy-Se-Te

OSTI Identifier:: 1740857

DOI:: https://doi.org/10.17188/1740857

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                    The Materials Project. Materials Data on Dy2Te3Se by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740857.

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                    The Materials Project. Materials Data on Dy2Te3Se by Materials Project.  United States.  doi:https://doi.org/10.17188/1740857

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                    The Materials Project. 2020.  
"Materials Data on Dy2Te3Se by Materials Project".  United States.  doi:https://doi.org/10.17188/1740857.  https://www.osti.gov/servlets/purl/1740857. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1740857,

  title        = {Materials Data on Dy2Te3Se by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2Te3Se crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to four Te+1.33- and one Se2- atom to form a mixture of edge and corner-sharing DyTe4Se trigonal bipyramids. There are a spread of Dy–Te bond distances ranging from 2.95–3.13 Å. The Dy–Se bond length is 2.82 Å. In the second Dy3+ site, Dy3+ is bonded to four Te+1.33- and one Se2- atom to form a mixture of distorted edge and corner-sharing DyTe4Se trigonal bipyramids. There are a spread of Dy–Te bond distances ranging from 2.94–3.08 Å. The Dy–Se bond length is 2.84 Å. There are three inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a 4-coordinate geometry to two Dy3+ and two equivalent Se2- atoms. There are one shorter (2.69 Å) and one longer (3.91 Å) Te–Se bond lengths. In the second Te+1.33- site, Te+1.33- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the third Te+1.33- site, Te+1.33- is bonded in a 3-coordinate geometry to three Dy3+ and one Se2- atom. The Te–Se bond length is 3.31 Å. Se2- is bonded in a 3-coordinate geometry to two Dy3+ and three Te+1.33- atoms.},

  doi          = {10.17188/1740857},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1740857

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