Materials Data on HoSe2 by Materials Project

doi:10.17188/1350491

Title: Materials Data on HoSe2 by Materials Project

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Abstract

HoSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Ho–Se bond distances ranging from 2.96–3.05 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to five equivalent Ho3+ atoms to form a mixture of distorted corner and edge-sharing SeHo5 trigonal bipyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.87 Å.

Publication Date:: 2020-07-16

Other Number(s):: mp-1018728

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; Ho-Se; HoSe2; crystal structure

OSTI Identifier:: 1350491

DOI:: https://doi.org/10.17188/1350491

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                    Materials Data on HoSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350491.

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                    Materials Data on HoSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350491

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                    2020.  
"Materials Data on HoSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350491.  https://www.osti.gov/servlets/purl/1350491. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1350491,

  title        = {Materials Data on HoSe2 by Materials Project},

  
  abstractNote = {HoSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Ho–Se bond distances ranging from 2.96–3.05 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to five equivalent Ho3+ atoms to form a mixture of distorted corner and edge-sharing SeHo5 trigonal bipyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.87 Å.},

  doi          = {10.17188/1350491},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1350491

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