Materials Data on LaSe2 by Materials Project

doi:10.17188/1350482

Title: Materials Data on LaSe2 by Materials Project

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Abstract

LaSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of La–Se bond distances ranging from 3.09–3.20 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to five equivalent La3+ atoms to form a mixture of distorted corner and edge-sharing SeLa5 trigonal bipyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent La3+ atoms.

Publication Date:: 2020-04-26

Other Number(s):: mp-1019091

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; La-Se; LaSe2; crystal structure

OSTI Identifier:: 1350482

DOI:: https://doi.org/10.17188/1350482

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                    Materials Data on LaSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350482.

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                    Materials Data on LaSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350482

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                    2020.  
"Materials Data on LaSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350482.  https://www.osti.gov/servlets/purl/1350482. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1350482,

  title        = {Materials Data on LaSe2 by Materials Project},

  
  abstractNote = {LaSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of La–Se bond distances ranging from 3.09–3.20 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to five equivalent La3+ atoms to form a mixture of distorted corner and edge-sharing SeLa5 trigonal bipyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent La3+ atoms.},

  doi          = {10.17188/1350482},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1350482

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Materials Data on LaSe2 by Materials Project

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LaSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven Se+1.50- atoms. There are a spread of La–Se bond distances ranging from 2.94–3.27 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Se+1.50- atom. The Se–Se bond length is 2.50 Å.
Materials Data on LaSe2 by Materials Project

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