Materials Data on PrSiRu2C by Materials Project

doi:10.17188/1672597

Title: Materials Data on PrSiRu2C by Materials Project

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Abstract

PrRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.11 Å) and two longer (3.17 Å) Pr–Si bond lengths. All Pr–C bond lengths are 2.74 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted corner and edge-sharing RuSi3C tetrahedra. There are two shorter (2.52 Å) and one longer (2.54 Å) Ru–Si bond lengths. The Ru–C bond length is 1.89 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Pr3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Pr3+ and two equivalent Ru+2.50+ atoms to form a mixture of corner and edge-sharing CPr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 23°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1205551

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; PrSiRu2C; C-Pr-Ru-Si

OSTI Identifier:: 1672597

DOI:: https://doi.org/10.17188/1672597

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                    The Materials Project. Materials Data on PrSiRu2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672597.

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                    The Materials Project. Materials Data on PrSiRu2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1672597

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                    The Materials Project. 2020.  
"Materials Data on PrSiRu2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1672597.  https://www.osti.gov/servlets/purl/1672597. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1672597,

  title        = {Materials Data on PrSiRu2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.11 Å) and two longer (3.17 Å) Pr–Si bond lengths. All Pr–C bond lengths are 2.74 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted corner and edge-sharing RuSi3C tetrahedra. There are two shorter (2.52 Å) and one longer (2.54 Å) Ru–Si bond lengths. The Ru–C bond length is 1.89 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Pr3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Pr3+ and two equivalent Ru+2.50+ atoms to form a mixture of corner and edge-sharing CPr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 23°.},

  doi          = {10.17188/1672597},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672597

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