Materials Data on La2Se3 by Materials Project

doi:10.17188/1206384

Title: Materials Data on La2Se3 by Materials Project

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Abstract

La2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.01–3.38 Å. In the second La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.04–3.21 Å. In the third La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.05–3.29 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six La3+ atoms. In the third Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 square pyramids.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-32798

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; La2Se3; La-Se

OSTI Identifier:: 1206384

DOI:: https://doi.org/10.17188/1206384

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                    The Materials Project. Materials Data on La2Se3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206384.

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                    The Materials Project. Materials Data on La2Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206384

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                    The Materials Project. 2020.  
"Materials Data on La2Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206384.  https://www.osti.gov/servlets/purl/1206384. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1206384,

  title        = {Materials Data on La2Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.01–3.38 Å. In the second La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.04–3.21 Å. In the third La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.05–3.29 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six La3+ atoms. In the third Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 square pyramids.},

  doi          = {10.17188/1206384},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206384

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