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Title: Materials Data on Er6Zn23Ge by Materials Project

Abstract

Er6Zn23Ge crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a distorted single-bond geometry to twelve Zn and one Ge atom. There are a spread of Er–Zn bond distances ranging from 3.04–3.22 Å. The Er–Ge bond length is 2.75 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form ZnEr4Zn8 cuboctahedra that share corners with four equivalent ZnEr4Zn8 cuboctahedra, edges with two equivalent GeEr6 octahedra, and faces with eight equivalent ZnEr4Zn8 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.77 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are three shorter (2.74 Å) and three longer (2.94 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Er and seven Zn atoms. Ge is bonded to six equivalent Er atoms to form GeEr6 octahedra that sharemore » edges with twelve equivalent ZnEr4Zn8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1192426
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; Er6Zn23Ge; Er-Ge-Zn
OSTI Identifier:
1685397
DOI:
https://doi.org/10.17188/1685397

Citation Formats

The Materials Project. Materials Data on Er6Zn23Ge by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685397.
The Materials Project. Materials Data on Er6Zn23Ge by Materials Project. United States. doi:https://doi.org/10.17188/1685397
The Materials Project. 2019. "Materials Data on Er6Zn23Ge by Materials Project". United States. doi:https://doi.org/10.17188/1685397. https://www.osti.gov/servlets/purl/1685397. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1685397,
title = {Materials Data on Er6Zn23Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Er6Zn23Ge crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a distorted single-bond geometry to twelve Zn and one Ge atom. There are a spread of Er–Zn bond distances ranging from 3.04–3.22 Å. The Er–Ge bond length is 2.75 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form ZnEr4Zn8 cuboctahedra that share corners with four equivalent ZnEr4Zn8 cuboctahedra, edges with two equivalent GeEr6 octahedra, and faces with eight equivalent ZnEr4Zn8 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.77 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are three shorter (2.74 Å) and three longer (2.94 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Er and seven Zn atoms. Ge is bonded to six equivalent Er atoms to form GeEr6 octahedra that share edges with twelve equivalent ZnEr4Zn8 cuboctahedra.},
doi = {10.17188/1685397},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}