Materials Data on Pr2Co2SiC by Materials Project

doi:10.17188/1675835

Title: Materials Data on Pr2Co2SiC by Materials Project

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Abstract

Pr2Co2SiC crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two Pr2Co2SiC sheets oriented in the (0, 0, 1) direction. Pr3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both Pr–C bond lengths are 2.62 Å. Co1+ is bonded in a single-bond geometry to two equivalent Si4- and one C4- atom. Both Co–Si bond lengths are 2.33 Å. The Co–C bond length is 1.78 Å. Si4- is bonded to four equivalent Co1+ atoms to form distorted SiCo4 cuboctahedra that share corners with four equivalent CPr4Co2 octahedra and edges with two equivalent SiCo4 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. C4- is bonded to four equivalent Pr3+ and two equivalent Co1+ atoms to form CPr4Co2 octahedra that share corners with four equivalent SiCo4 cuboctahedra and edges with two equivalent CPr4Co2 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1071216

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; Pr2Co2SiC; C-Co-Pr-Si

OSTI Identifier:: 1675835

DOI:: https://doi.org/10.17188/1675835

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                    The Materials Project. Materials Data on Pr2Co2SiC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675835.

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                    The Materials Project. Materials Data on Pr2Co2SiC by Materials Project.  United States.  doi:https://doi.org/10.17188/1675835

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                    The Materials Project. 2020.  
"Materials Data on Pr2Co2SiC by Materials Project".  United States.  doi:https://doi.org/10.17188/1675835.  https://www.osti.gov/servlets/purl/1675835. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1675835,

  title        = {Materials Data on Pr2Co2SiC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2Co2SiC crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two Pr2Co2SiC sheets oriented in the (0, 0, 1) direction. Pr3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both Pr–C bond lengths are 2.62 Å. Co1+ is bonded in a single-bond geometry to two equivalent Si4- and one C4- atom. Both Co–Si bond lengths are 2.33 Å. The Co–C bond length is 1.78 Å. Si4- is bonded to four equivalent Co1+ atoms to form distorted SiCo4 cuboctahedra that share corners with four equivalent CPr4Co2 octahedra and edges with two equivalent SiCo4 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. C4- is bonded to four equivalent Pr3+ and two equivalent Co1+ atoms to form CPr4Co2 octahedra that share corners with four equivalent SiCo4 cuboctahedra and edges with two equivalent CPr4Co2 octahedra.},

  doi          = {10.17188/1675835},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675835

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