Materials Data on TiSiRu by Materials Project

doi:10.17188/1262779

Title: Materials Data on TiSiRu by Materials Project

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Abstract

TiRuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to five equivalent Si4- atoms to form distorted TiSi5 square pyramids that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent RuSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with six equivalent RuSi4 tetrahedra. There are four shorter (2.71 Å) and one longer (2.74 Å) Ti–Si bond lengths. Ru2+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent RuSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with two equivalent RuSi4 tetrahedra. There are a spread of Ru–Si bond distances ranging from 2.40–2.43 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti2+ and four equivalent Ru2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-505822

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; TiSiRu; Ru-Si-Ti

OSTI Identifier:: 1262779

DOI:: https://doi.org/10.17188/1262779

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                    The Materials Project. Materials Data on TiSiRu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262779.

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                    The Materials Project. Materials Data on TiSiRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1262779

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                    The Materials Project. 2020.  
"Materials Data on TiSiRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1262779.  https://www.osti.gov/servlets/purl/1262779. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1262779,

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

  author       = {The Materials Project},

  abstractNote = {TiRuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to five equivalent Si4- atoms to form distorted TiSi5 square pyramids that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent RuSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with six equivalent RuSi4 tetrahedra. There are four shorter (2.71 Å) and one longer (2.74 Å) Ti–Si bond lengths. Ru2+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent RuSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with two equivalent RuSi4 tetrahedra. There are a spread of Ru–Si bond distances ranging from 2.40–2.43 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti2+ and four equivalent Ru2+ atoms.},

  doi          = {10.17188/1262779},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262779

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