Materials Data on Er2Mo2C3 by Materials Project

doi:10.17188/1207413

Title: Materials Data on Er2Mo2C3 by Materials Project

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Abstract

Er2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.42–2.52 Å. Mo3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Mo–C bond distances ranging from 2.06–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Er3+ and three equivalent Mo3+ atoms to form CEr3Mo3 octahedra that share corners with three equivalent CEr4Mo2 octahedra and edges with nine CEr3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 10–28°. In the second C4- site, C4- is bonded to four equivalent Er3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CEr4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 10–28°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-3776

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; Er2Mo2C3; C-Er-Mo

OSTI Identifier:: 1207413

DOI:: https://doi.org/10.17188/1207413

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                    The Materials Project. Materials Data on Er2Mo2C3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207413.

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                    The Materials Project. Materials Data on Er2Mo2C3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207413

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                    The Materials Project. 2020.  
"Materials Data on Er2Mo2C3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207413.  https://www.osti.gov/servlets/purl/1207413. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207413,

  title        = {Materials Data on Er2Mo2C3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.42–2.52 Å. Mo3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Mo–C bond distances ranging from 2.06–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Er3+ and three equivalent Mo3+ atoms to form CEr3Mo3 octahedra that share corners with three equivalent CEr4Mo2 octahedra and edges with nine CEr3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 10–28°. In the second C4- site, C4- is bonded to four equivalent Er3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CEr4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 10–28°.},

  doi          = {10.17188/1207413},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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