Materials Data on Na3NdCl6 by Materials Project

doi:10.17188/1655678

Title: Materials Data on Na3NdCl6 by Materials Project

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Abstract

(Na)2NaNdCl6 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 NaNdCl6 framework. In the NaNdCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent NdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.71 Å. Nd3+ is bonded to six equivalent Cl1- atoms to form NdCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Cl bond lengths are 2.71 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Nd3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1113503

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; Na3NdCl6; Cl-Na-Nd

OSTI Identifier:: 1655678

DOI:: https://doi.org/10.17188/1655678

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                    The Materials Project. Materials Data on Na3NdCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655678.

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                    The Materials Project. Materials Data on Na3NdCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655678

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                    The Materials Project. 2020.  
"Materials Data on Na3NdCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655678.  https://www.osti.gov/servlets/purl/1655678. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1655678,

  title        = {Materials Data on Na3NdCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Na)2NaNdCl6 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 NaNdCl6 framework. In the NaNdCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent NdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.71 Å. Nd3+ is bonded to six equivalent Cl1- atoms to form NdCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Cl bond lengths are 2.71 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Nd3+ atom.},

  doi          = {10.17188/1655678},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1655678

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