Materials Data on Gd2Mo2C3 by Materials Project

doi:10.17188/1188531

Title: Materials Data on Gd2Mo2C3 by Materials Project

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Abstract

Gd2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd3+ is bonded to five C4- atoms to form GdC5 square pyramids that share corners with two equivalent GdC5 square pyramids, corners with seven equivalent MoC4 tetrahedra, edges with five equivalent GdC5 square pyramids, and edges with three equivalent MoC4 tetrahedra. There are a spread of Gd–C bond distances ranging from 2.47–2.58 Å. Mo3+ is bonded to four C4- atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent GdC5 square pyramids, corners with three equivalent MoC4 tetrahedra, edges with three equivalent GdC5 square pyramids, and edges with two equivalent MoC4 tetrahedra. There are a spread of Mo–C bond distances ranging from 2.07–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Gd3+ and two equivalent Mo3+ atoms to form CGd4Mo2 octahedra that share corners with six equivalent CGd3Mo3 octahedra and edges with eight CGd4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 11–29°. In the second C4- site, C4- is bonded to three equivalent Gd3+ and three equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CGd3Mo3 octahedra. The corner-sharing octahedra tilt angles rangemore » from 11–29°.« less

Authors:: The Materials Project

Publication Date:: Sun Apr 26 00:00:00 EDT 2020

Other Number(s):: mp-12039

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; Gd2Mo2C3; C-Gd-Mo

OSTI Identifier:: 1188531

DOI:: https://doi.org/10.17188/1188531

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                    The Materials Project. Materials Data on Gd2Mo2C3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188531.

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                    The Materials Project. Materials Data on Gd2Mo2C3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188531

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                    The Materials Project. 2020.  
"Materials Data on Gd2Mo2C3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188531.  https://www.osti.gov/servlets/purl/1188531. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1188531,

  title        = {Materials Data on Gd2Mo2C3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd3+ is bonded to five C4- atoms to form GdC5 square pyramids that share corners with two equivalent GdC5 square pyramids, corners with seven equivalent MoC4 tetrahedra, edges with five equivalent GdC5 square pyramids, and edges with three equivalent MoC4 tetrahedra. There are a spread of Gd–C bond distances ranging from 2.47–2.58 Å. Mo3+ is bonded to four C4- atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent GdC5 square pyramids, corners with three equivalent MoC4 tetrahedra, edges with three equivalent GdC5 square pyramids, and edges with two equivalent MoC4 tetrahedra. There are a spread of Mo–C bond distances ranging from 2.07–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Gd3+ and two equivalent Mo3+ atoms to form CGd4Mo2 octahedra that share corners with six equivalent CGd3Mo3 octahedra and edges with eight CGd4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 11–29°. In the second C4- site, C4- is bonded to three equivalent Gd3+ and three equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CGd3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 11–29°.},

  doi          = {10.17188/1188531},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Apr 26 00:00:00 EDT 2020},

  month        = {Sun Apr 26 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188531

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