Materials Data on LaErSe2 by Materials Project

doi:10.17188/1681384

Title: Materials Data on LaErSe2 by Materials Project

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Abstract

ErLaSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded to six equivalent Se atoms to form ErSe6 octahedra that share corners with six equivalent LaSe6 octahedra, edges with six equivalent ErSe6 octahedra, and edges with six equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Er–Se bond lengths are 2.85 Å. La is bonded to six equivalent Se atoms to form LaSe6 octahedra that share corners with six equivalent ErSe6 octahedra, edges with six equivalent ErSe6 octahedra, and edges with six equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All La–Se bond lengths are 3.06 Å. Se is bonded to three equivalent Er and three equivalent La atoms to form a mixture of corner and edge-sharing SeLa3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1222885

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; LaErSe2; Er-La-Se

OSTI Identifier:: 1681384

DOI:: https://doi.org/10.17188/1681384

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                    The Materials Project. Materials Data on LaErSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681384.

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                    The Materials Project. Materials Data on LaErSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681384

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                    The Materials Project. 2020.  
"Materials Data on LaErSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681384.  https://www.osti.gov/servlets/purl/1681384. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1681384,

  title        = {Materials Data on LaErSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErLaSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded to six equivalent Se atoms to form ErSe6 octahedra that share corners with six equivalent LaSe6 octahedra, edges with six equivalent ErSe6 octahedra, and edges with six equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Er–Se bond lengths are 2.85 Å. La is bonded to six equivalent Se atoms to form LaSe6 octahedra that share corners with six equivalent ErSe6 octahedra, edges with six equivalent ErSe6 octahedra, and edges with six equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All La–Se bond lengths are 3.06 Å. Se is bonded to three equivalent Er and three equivalent La atoms to form a mixture of corner and edge-sharing SeLa3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1681384},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681384

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