Materials Data on Th2Se5 by Materials Project

doi:10.17188/1199805

Title: Materials Data on Th2Se5 by Materials Project

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Abstract

Th2Se5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Se+1.60- atoms. There are a spread of Th–Se bond distances ranging from 3.03–3.24 Å. There are three inequivalent Se+1.60- sites. In the first Se+1.60- site, Se+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ and one Se+1.60- atom. The Se–Se bond length is 2.91 Å. In the second Se+1.60- site, Se+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two Se+1.60- atoms. The Se–Se bond length is 2.59 Å. In the third Se+1.60- site, Se+1.60- is bonded to four equivalent Th4+ atoms to form distorted corner-sharing SeTh4 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-2392

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; Th2Se5; Se-Th

OSTI Identifier:: 1199805

DOI:: https://doi.org/10.17188/1199805

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                    The Materials Project. Materials Data on Th2Se5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199805.

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                    The Materials Project. Materials Data on Th2Se5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199805

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                    The Materials Project. 2020.  
"Materials Data on Th2Se5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199805.  https://www.osti.gov/servlets/purl/1199805. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1199805,

  title        = {Materials Data on Th2Se5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th2Se5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Se+1.60- atoms. There are a spread of Th–Se bond distances ranging from 3.03–3.24 Å. There are three inequivalent Se+1.60- sites. In the first Se+1.60- site, Se+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ and one Se+1.60- atom. The Se–Se bond length is 2.91 Å. In the second Se+1.60- site, Se+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two Se+1.60- atoms. The Se–Se bond length is 2.59 Å. In the third Se+1.60- site, Se+1.60- is bonded to four equivalent Th4+ atoms to form distorted corner-sharing SeTh4 trigonal pyramids.},

  doi          = {10.17188/1199805},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199805

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