Materials Data on Na3ErCl6 by Materials Project

doi:10.17188/1746294

Title: Materials Data on Na3ErCl6 by Materials Project

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Abstract

(Na)2NaErCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one NaErCl6 framework. In the NaErCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent ErCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.70 Å. Er3+ is bonded to six equivalent Cl1- atoms to form ErCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.59 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Er3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1111896

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; Na3ErCl6; Cl-Er-Na

OSTI Identifier:: 1746294

DOI:: https://doi.org/10.17188/1746294

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                    The Materials Project. Materials Data on Na3ErCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746294.

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                    The Materials Project. Materials Data on Na3ErCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746294

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                    The Materials Project. 2020.  
"Materials Data on Na3ErCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746294.  https://www.osti.gov/servlets/purl/1746294. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1746294,

  title        = {Materials Data on Na3ErCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Na)2NaErCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one NaErCl6 framework. In the NaErCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent ErCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.70 Å. Er3+ is bonded to six equivalent Cl1- atoms to form ErCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.59 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Er3+ atom.},

  doi          = {10.17188/1746294},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746294

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