Materials Data on NdTlSe2 by Materials Project

doi:10.17188/1274530

Title: Materials Data on NdTlSe2 by Materials Project

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Abstract

TlNdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent NdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Nd–Se bond lengths are 2.99 Å. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent NdSe6 octahedra, edges with six equivalent NdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Se bond lengths are 3.37 Å. Se2- is bonded to three equivalent Nd3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SeNd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-568588

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; NdTlSe2; Nd-Se-Tl

OSTI Identifier:: 1274530

DOI:: https://doi.org/10.17188/1274530

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                    The Materials Project. Materials Data on NdTlSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274530.

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                    The Materials Project. Materials Data on NdTlSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274530

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                    The Materials Project. 2020.  
"Materials Data on NdTlSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274530.  https://www.osti.gov/servlets/purl/1274530. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274530,

  title        = {Materials Data on NdTlSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlNdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent NdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Nd–Se bond lengths are 2.99 Å. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent NdSe6 octahedra, edges with six equivalent NdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Se bond lengths are 3.37 Å. Se2- is bonded to three equivalent Nd3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SeNd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1274530},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274530

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