Materials Data on ThSi3Ru by Materials Project

doi:10.17188/1743787

Title: Materials Data on ThSi3Ru by Materials Project

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Abstract

ThRuSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Ru and twelve Si atoms. There are four shorter (3.38 Å) and one longer (3.39 Å) Th–Ru bond lengths. There are a spread of Th–Si bond distances ranging from 3.11–3.38 Å. Ru is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.36 Å) and four longer (2.38 Å) Ru–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Th, one Ru, and four equivalent Si atoms. All Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Th, two equivalent Ru, and two equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-26

Other Number(s):: mp-1068732

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; ThSi3Ru; Ru-Si-Th

OSTI Identifier:: 1743787

DOI:: https://doi.org/10.17188/1743787

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                    The Materials Project. Materials Data on ThSi3Ru by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743787.

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                    The Materials Project. Materials Data on ThSi3Ru by Materials Project.  United States.  doi:https://doi.org/10.17188/1743787

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                    The Materials Project. 2020.  
"Materials Data on ThSi3Ru by Materials Project".  United States.  doi:https://doi.org/10.17188/1743787.  https://www.osti.gov/servlets/purl/1743787. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1743787,

  title        = {Materials Data on ThSi3Ru by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThRuSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Ru and twelve Si atoms. There are four shorter (3.38 Å) and one longer (3.39 Å) Th–Ru bond lengths. There are a spread of Th–Si bond distances ranging from 3.11–3.38 Å. Ru is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.36 Å) and four longer (2.38 Å) Ru–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Th, one Ru, and four equivalent Si atoms. All Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Th, two equivalent Ru, and two equivalent Si atoms.},

  doi          = {10.17188/1743787},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1743787

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