Materials Data on Er2OsC2 by Materials Project

doi:10.17188/1734242

Title: Materials Data on Er2OsC2 by Materials Project

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Abstract

Er2OsC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five C4- atoms to form a mixture of corner and edge-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.46–2.56 Å. In the second Er3+ site, Er3+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Er–C bond distances ranging from 2.51–2.55 Å. Os2+ is bonded in a distorted trigonal planar geometry to three C4- atoms. There are a spread of Os–C bond distances ranging from 1.94–1.99 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four Er3+ and two equivalent Os2+ atoms to form a mixture of corner and edge-sharing CEr4Os2 octahedra. The corner-sharing octahedra tilt angles range from 10–39°. In the second C4- site, C4- is bonded to five Er3+ and one Os2+ atom to form a mixture of corner and edge-sharing CEr5Os octahedra. The corner-sharing octahedra tilt angles range from 3–39°.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1213006

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; Er2OsC2; C-Er-Os

OSTI Identifier:: 1734242

DOI:: https://doi.org/10.17188/1734242

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                    The Materials Project. Materials Data on Er2OsC2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734242.

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                    The Materials Project. Materials Data on Er2OsC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734242

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                    The Materials Project. 2020.  
"Materials Data on Er2OsC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734242.  https://www.osti.gov/servlets/purl/1734242. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1734242,

  title        = {Materials Data on Er2OsC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2OsC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five C4- atoms to form a mixture of corner and edge-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.46–2.56 Å. In the second Er3+ site, Er3+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Er–C bond distances ranging from 2.51–2.55 Å. Os2+ is bonded in a distorted trigonal planar geometry to three C4- atoms. There are a spread of Os–C bond distances ranging from 1.94–1.99 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four Er3+ and two equivalent Os2+ atoms to form a mixture of corner and edge-sharing CEr4Os2 octahedra. The corner-sharing octahedra tilt angles range from 10–39°. In the second C4- site, C4- is bonded to five Er3+ and one Os2+ atom to form a mixture of corner and edge-sharing CEr5Os octahedra. The corner-sharing octahedra tilt angles range from 3–39°.},

  doi          = {10.17188/1734242},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1734242

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