Materials Data on PrSi2Mo2C by Materials Project

doi:10.17188/1197230

Title: Materials Data on PrSi2Mo2C by Materials Project

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Abstract

PrMo2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Pr–Si bond lengths are 3.23 Å. Both Pr–C bond lengths are 2.72 Å. Mo+4.50+ is bonded to four equivalent Si4- and two equivalent C4- atoms to form a mixture of distorted face, edge, and corner-sharing MoSi4C2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–Si bond lengths are 2.60 Å. Both Mo–C bond lengths are 2.12 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Mo+4.50+, and one Si4- atom. The Si–Si bond length is 2.42 Å. C4- is bonded to two equivalent Pr3+ and four equivalent Mo+4.50+ atoms to form corner-sharing CPr2Mo4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-21891

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; PrSi2Mo2C; C-Mo-Pr-Si

OSTI Identifier:: 1197230

DOI:: https://doi.org/10.17188/1197230

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                    The Materials Project. Materials Data on PrSi2Mo2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197230.

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                    The Materials Project. Materials Data on PrSi2Mo2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1197230

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                    The Materials Project. 2020.  
"Materials Data on PrSi2Mo2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1197230.  https://www.osti.gov/servlets/purl/1197230. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197230,

  title        = {Materials Data on PrSi2Mo2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrMo2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Pr–Si bond lengths are 3.23 Å. Both Pr–C bond lengths are 2.72 Å. Mo+4.50+ is bonded to four equivalent Si4- and two equivalent C4- atoms to form a mixture of distorted face, edge, and corner-sharing MoSi4C2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–Si bond lengths are 2.60 Å. Both Mo–C bond lengths are 2.12 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Mo+4.50+, and one Si4- atom. The Si–Si bond length is 2.42 Å. C4- is bonded to two equivalent Pr3+ and four equivalent Mo+4.50+ atoms to form corner-sharing CPr2Mo4 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1197230},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197230

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