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Title: Materials Data on Gd2Au5F21 by Materials Project

Abstract

Gd2Au5F21 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Gd–F bond distances ranging from 2.24–2.58 Å. There are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.96–1.98 Å. In the second Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.93–1.99 Å. In the third Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the fourth F1- site,more » F1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the sixth F1- site, F1- is bonded in a distorted linear geometry to one Gd3+ and one Au3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Gd3+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Gd3+ and one Au3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557726
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; Gd2Au5F21; Au-F-Gd
OSTI Identifier:
1269976
DOI:
10.17188/1269976

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Gd2Au5F21 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1269976.
Persson, Kristin, & Project, Materials. Materials Data on Gd2Au5F21 by Materials Project. United States. doi:10.17188/1269976.
Persson, Kristin, and Project, Materials. 2014. "Materials Data on Gd2Au5F21 by Materials Project". United States. doi:10.17188/1269976. https://www.osti.gov/servlets/purl/1269976. Pub date:Sun Feb 23 00:00:00 EST 2014
@article{osti_1269976,
title = {Materials Data on Gd2Au5F21 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Gd2Au5F21 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Gd–F bond distances ranging from 2.24–2.58 Å. There are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.96–1.98 Å. In the second Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.93–1.99 Å. In the third Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the sixth F1- site, F1- is bonded in a distorted linear geometry to one Gd3+ and one Au3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Gd3+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Gd3+ and one Au3+ atom. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Gd3+ and one Au3+ atom.},
doi = {10.17188/1269976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

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