Materials Data on Na2TmAgCl6 by Materials Project

doi:10.17188/1678526

Title: Materials Data on Na2TmAgCl6 by Materials Project

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Abstract

(Na)2TmAgCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one TmAgCl6 framework. In the TmAgCl6 framework, Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.58 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent TmCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.70 Å. Cl1- is bonded in a linear geometry to one Tm3+ and one Ag1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1111523

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; Na2TmAgCl6; Ag-Cl-Na-Tm

OSTI Identifier:: 1678526

DOI:: https://doi.org/10.17188/1678526

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                    The Materials Project. Materials Data on Na2TmAgCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678526.

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                    The Materials Project. Materials Data on Na2TmAgCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678526

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                    The Materials Project. 2020.  
"Materials Data on Na2TmAgCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678526.  https://www.osti.gov/servlets/purl/1678526. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1678526,

  title        = {Materials Data on Na2TmAgCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Na)2TmAgCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one TmAgCl6 framework. In the TmAgCl6 framework, Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.58 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent TmCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.70 Å. Cl1- is bonded in a linear geometry to one Tm3+ and one Ag1+ atom.},

  doi          = {10.17188/1678526},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678526

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