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Title: Materials Data on K2GdF5 by Materials Project

Abstract

K2GdF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.68–2.91 Å. Gd3+ is bonded to seven F1- atoms to form distorted edge-sharing GdF7 pentagonal bipyramids. There are a spread of Gd–F bond distances ranging from 2.25–2.34 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Gd3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Gd3+ atoms. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Gd3+ atom. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Gd3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-642655
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; K2GdF5; F-Gd-K
OSTI Identifier:
1280143
DOI:
10.17188/1280143

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2GdF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280143.
Persson, Kristin, & Project, Materials. Materials Data on K2GdF5 by Materials Project. United States. doi:10.17188/1280143.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2GdF5 by Materials Project". United States. doi:10.17188/1280143. https://www.osti.gov/servlets/purl/1280143. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1280143,
title = {Materials Data on K2GdF5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2GdF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.68–2.91 Å. Gd3+ is bonded to seven F1- atoms to form distorted edge-sharing GdF7 pentagonal bipyramids. There are a spread of Gd–F bond distances ranging from 2.25–2.34 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Gd3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Gd3+ atoms. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Gd3+ atom. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Gd3+ atom.},
doi = {10.17188/1280143},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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