Materials Data on K2NaDyCl6 by Materials Project

doi:10.17188/1744085

Title: Materials Data on K2NaDyCl6 by Materials Project

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Abstract

K2NaDyCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent DyCl6 octahedra. All K–Cl bond lengths are 3.79 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent DyCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.74 Å. Dy3+ is bonded to six equivalent Cl1- atoms to form DyCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Cl bond lengths are 2.63 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Dy3+ atom.

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1111648

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; K2NaDyCl6; Cl-Dy-K-Na

OSTI Identifier:: 1744085

DOI:: https://doi.org/10.17188/1744085

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                    The Materials Project. Materials Data on K2NaDyCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744085.

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                    The Materials Project. Materials Data on K2NaDyCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744085

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                    The Materials Project. 2020.  
"Materials Data on K2NaDyCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744085.  https://www.osti.gov/servlets/purl/1744085. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1744085,

  title        = {Materials Data on K2NaDyCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2NaDyCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent DyCl6 octahedra. All K–Cl bond lengths are 3.79 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent DyCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.74 Å. Dy3+ is bonded to six equivalent Cl1- atoms to form DyCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Cl bond lengths are 2.63 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Dy3+ atom.},

  doi          = {10.17188/1744085},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1744085

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