Materials Data on ThS2 by Materials Project

doi:10.17188/1187850

Title: Materials Data on ThS2 by Materials Project

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Abstract

ThS2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Th–S bond distances ranging from 2.81–3.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five equivalent Th4+ atoms. In the second S2- site, S2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing STh4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1146

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; ThS2; S-Th

OSTI Identifier:: 1187850

DOI:: https://doi.org/10.17188/1187850

Citation Formats


                    The Materials Project. Materials Data on ThS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187850.

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                    The Materials Project. Materials Data on ThS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187850

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                    The Materials Project. 2020.  
"Materials Data on ThS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187850.  https://www.osti.gov/servlets/purl/1187850. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187850,

  title        = {Materials Data on ThS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThS2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Th–S bond distances ranging from 2.81–3.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five equivalent Th4+ atoms. In the second S2- site, S2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing STh4 tetrahedra.},

  doi          = {10.17188/1187850},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187850

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