Materials Data on Th3Si2 by Materials Project

doi:10.17188/1195751

Title: Materials Data on Th3Si2 by Materials Project

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Abstract

Th3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 1-coordinate geometry to four equivalent Th and three equivalent Si atoms. All Th–Th bond lengths are 3.78 Å. There are one shorter (2.77 Å) and two longer (2.97 Å) Th–Si bond lengths. In the second Th site, Th is bonded in a distorted q6 geometry to ten Th atoms. Both Th–Th bond lengths are 3.41 Å. Si is bonded in a 4-coordinate geometry to three equivalent Th and one Si atom. The Si–Si bond length is 2.26 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-20617

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; Th3Si2; Si-Th

OSTI Identifier:: 1195751

DOI:: https://doi.org/10.17188/1195751

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                    The Materials Project. Materials Data on Th3Si2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195751.

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                    The Materials Project. Materials Data on Th3Si2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195751

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                    The Materials Project. 2020.  
"Materials Data on Th3Si2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195751.  https://www.osti.gov/servlets/purl/1195751. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1195751,

  title        = {Materials Data on Th3Si2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 1-coordinate geometry to four equivalent Th and three equivalent Si atoms. All Th–Th bond lengths are 3.78 Å. There are one shorter (2.77 Å) and two longer (2.97 Å) Th–Si bond lengths. In the second Th site, Th is bonded in a distorted q6 geometry to ten Th atoms. Both Th–Th bond lengths are 3.41 Å. Si is bonded in a 4-coordinate geometry to three equivalent Th and one Si atom. The Si–Si bond length is 2.26 Å.},

  doi          = {10.17188/1195751},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195751

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