Materials Data on KGdPdO3 by Materials Project

doi:10.17188/1268757

Title: Materials Data on KGdPdO3 by Materials Project

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Abstract

KGdPdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.08 Å. Gd3+ is bonded to seven O2- atoms to form distorted edge-sharing GdO7 hexagonal pyramids. There are a spread of Gd–O bond distances ranging from 2.28–2.57 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pd–O bond distances ranging from 2.00–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, three equivalent Gd3+, and one Pd2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Gd3+, and one Pd2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Gd3+, and two equivalent Pd2+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 21 00:00:00 EDT 2017

Other Number(s):: mp-555331

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; KGdPdO3; Gd-K-O-Pd

OSTI Identifier:: 1268757

DOI:: https://doi.org/10.17188/1268757

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                    The Materials Project. Materials Data on KGdPdO3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1268757.

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                    The Materials Project. Materials Data on KGdPdO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268757

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                    The Materials Project. 2017.  
"Materials Data on KGdPdO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268757.  https://www.osti.gov/servlets/purl/1268757. Pub date:Fri Jul 21 00:00:00 EDT 2017

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@article{osti_1268757,

  title        = {Materials Data on KGdPdO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KGdPdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.08 Å. Gd3+ is bonded to seven O2- atoms to form distorted edge-sharing GdO7 hexagonal pyramids. There are a spread of Gd–O bond distances ranging from 2.28–2.57 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pd–O bond distances ranging from 2.00–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, three equivalent Gd3+, and one Pd2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Gd3+, and one Pd2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Gd3+, and two equivalent Pd2+ atoms.},

  doi          = {10.17188/1268757},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 21 00:00:00 EDT 2017},

  month        = {Fri Jul 21 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1268757

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