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Title: Materials Data on Gd2Zn17 by Materials Project

Abstract

Gd2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Gd–Zn bond distances ranging from 3.12–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Gd and nine Zn atoms to form distorted ZnGd3Zn9 cuboctahedra that share corners with twenty-three ZnGd2Zn10 cuboctahedra, edges with ten ZnGd2Zn10 cuboctahedra, and faces with twenty ZnGd3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.56–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Gd and ten Zn atoms to form distorted ZnGd2Zn10 cuboctahedra that share corners with twenty-four ZnGd2Zn10 cuboctahedra, edges with five ZnGd2Zn10 cuboctahedra, and faces with twenty-one ZnGd3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Gd and ten Zn atoms to form ZnGd2Zn10 cuboctahedra that share corners with twenty-two ZnGd2Zn10 cuboctahedra, edges with ten ZnGd3Zn9 cuboctahedra, and faces with eighteen ZnGd3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.74 Å. In the fourth Zn site, Zn is bonded in a 2-coordinate geometrymore » to one Gd and thirteen Zn atoms. The Zn–Zn bond length is 2.65 Å.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542437
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; Gd2Zn17; Gd-Zn
OSTI Identifier:
1266527
DOI:
10.17188/1266527

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Gd2Zn17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266527.
Persson, Kristin, & Project, Materials. Materials Data on Gd2Zn17 by Materials Project. United States. doi:10.17188/1266527.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Gd2Zn17 by Materials Project". United States. doi:10.17188/1266527. https://www.osti.gov/servlets/purl/1266527. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266527,
title = {Materials Data on Gd2Zn17 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Gd2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Gd–Zn bond distances ranging from 3.12–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Gd and nine Zn atoms to form distorted ZnGd3Zn9 cuboctahedra that share corners with twenty-three ZnGd2Zn10 cuboctahedra, edges with ten ZnGd2Zn10 cuboctahedra, and faces with twenty ZnGd3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.56–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Gd and ten Zn atoms to form distorted ZnGd2Zn10 cuboctahedra that share corners with twenty-four ZnGd2Zn10 cuboctahedra, edges with five ZnGd2Zn10 cuboctahedra, and faces with twenty-one ZnGd3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Gd and ten Zn atoms to form ZnGd2Zn10 cuboctahedra that share corners with twenty-two ZnGd2Zn10 cuboctahedra, edges with ten ZnGd3Zn9 cuboctahedra, and faces with eighteen ZnGd3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.74 Å. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to one Gd and thirteen Zn atoms. The Zn–Zn bond length is 2.65 Å.},
doi = {10.17188/1266527},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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