Materials Data on KNdO2 by Materials Project

doi:10.17188/1289272

Title: Materials Data on KNdO2 by Materials Project

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Abstract

KNdO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent NdO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All K–O bond lengths are 2.87 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Nd–O bond lengths are 2.42 Å. O2- is bonded to three equivalent K1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing OK3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-754158

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; KNdO2; K-Nd-O

OSTI Identifier:: 1289272

DOI:: https://doi.org/10.17188/1289272

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                    The Materials Project. Materials Data on KNdO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289272.

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                    The Materials Project. Materials Data on KNdO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289272

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                    The Materials Project. 2020.  
"Materials Data on KNdO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289272.  https://www.osti.gov/servlets/purl/1289272. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1289272,

  title        = {Materials Data on KNdO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KNdO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent NdO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All K–O bond lengths are 2.87 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Nd–O bond lengths are 2.42 Å. O2- is bonded to three equivalent K1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing OK3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1289272},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289272

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