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Title: Materials Data on KGdPdO3 by Materials Project

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.

Publication Date:
Other Number(s):
mp-555331
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KGdPdO3; Gd-K-O-Pd
OSTI Identifier:
1268757
DOI:
10.17188/1268757

Citation Formats

The Materials Project. Materials Data on KGdPdO3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1268757.
The Materials Project. Materials Data on KGdPdO3 by Materials Project. United States. doi:10.17188/1268757.
The Materials Project. 2017. "Materials Data on KGdPdO3 by Materials Project". United States. doi:10.17188/1268757. https://www.osti.gov/servlets/purl/1268757. Pub date:Fri Jul 21 00:00:00 EDT 2017
@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 = {2017},
month = {7}
}

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