Materials Data on Tb2Mo2C3 by Materials Project

doi:10.17188/1355320

Title: Materials Data on Tb2Mo2C3 by Materials Project

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Abstract

Tb2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded to five C4- atoms to form TbC5 square pyramids that share corners with two equivalent TbC5 square pyramids, corners with seven equivalent MoC4 tetrahedra, edges with five equivalent TbC5 square pyramids, and edges with three equivalent MoC4 tetrahedra. There are a spread of Tb–C bond distances ranging from 2.45–2.57 Å. Mo3+ is bonded to four C4- atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent TbC5 square pyramids, corners with three equivalent MoC4 tetrahedra, edges with three equivalent TbC5 square pyramids, and edges with two equivalent MoC4 tetrahedra. There are a spread of Mo–C bond distances ranging from 2.07–2.16 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Tb3+ and three equivalent Mo3+ atoms to form CTb3Mo3 octahedra that share corners with three equivalent CTb4Mo2 octahedra and edges with nine CTb3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 11–29°. In the second C4- site, C4- is bonded to four equivalent Tb3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CTb4Mo2 octahedra. The corner-sharing octahedra tilt angles rangemore » from 11–29°.« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1025326

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; Tb2Mo2C3; C-Mo-Tb

OSTI Identifier:: 1355320

DOI:: https://doi.org/10.17188/1355320

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                    The Materials Project. Materials Data on Tb2Mo2C3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355320.

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                    The Materials Project. Materials Data on Tb2Mo2C3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355320

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                    The Materials Project. 2020.  
"Materials Data on Tb2Mo2C3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355320.  https://www.osti.gov/servlets/purl/1355320. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1355320,

  title        = {Materials Data on Tb2Mo2C3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded to five C4- atoms to form TbC5 square pyramids that share corners with two equivalent TbC5 square pyramids, corners with seven equivalent MoC4 tetrahedra, edges with five equivalent TbC5 square pyramids, and edges with three equivalent MoC4 tetrahedra. There are a spread of Tb–C bond distances ranging from 2.45–2.57 Å. Mo3+ is bonded to four C4- atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent TbC5 square pyramids, corners with three equivalent MoC4 tetrahedra, edges with three equivalent TbC5 square pyramids, and edges with two equivalent MoC4 tetrahedra. There are a spread of Mo–C bond distances ranging from 2.07–2.16 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Tb3+ and three equivalent Mo3+ atoms to form CTb3Mo3 octahedra that share corners with three equivalent CTb4Mo2 octahedra and edges with nine CTb3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 11–29°. In the second C4- site, C4- is bonded to four equivalent Tb3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CTb4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 11–29°.},

  doi          = {10.17188/1355320},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1355320

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