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Title: Materials Data on Er6Al2Ge7 by Materials Project

Abstract

Er6Al2Ge7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to nine Ge atoms. There are a spread of Er–Ge bond distances ranging from 3.01–3.58 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to two equivalent Al and seven Ge atoms. Both Er–Al bond lengths are 3.19 Å. There are a spread of Er–Ge bond distances ranging from 2.99–3.60 Å. In the third Er site, Er is bonded in a 8-coordinate geometry to two equivalent Al and six Ge atoms. Both Er–Al bond lengths are 3.19 Å. There are a spread of Er–Ge bond distances ranging from 3.00–3.04 Å. Al is bonded in a 4-coordinate geometry to four Er and four Ge atoms. There are two shorter (2.68 Å) and two longer (2.70 Å) Al–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms. There are one shorter (2.57 Å) and two longer (2.75 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded inmore » a 9-coordinate geometry to six Er, two equivalent Al, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the fourth Ge site, Ge is bonded to eight Er and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing GeEr8Ge4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1225632
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; Er6Al2Ge7; Al-Er-Ge
OSTI Identifier:
1710636
DOI:
https://doi.org/10.17188/1710636

Citation Formats

The Materials Project. Materials Data on Er6Al2Ge7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710636.
The Materials Project. Materials Data on Er6Al2Ge7 by Materials Project. United States. doi:https://doi.org/10.17188/1710636
The Materials Project. 2020. "Materials Data on Er6Al2Ge7 by Materials Project". United States. doi:https://doi.org/10.17188/1710636. https://www.osti.gov/servlets/purl/1710636. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710636,
title = {Materials Data on Er6Al2Ge7 by Materials Project},
author = {The Materials Project},
abstractNote = {Er6Al2Ge7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to nine Ge atoms. There are a spread of Er–Ge bond distances ranging from 3.01–3.58 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to two equivalent Al and seven Ge atoms. Both Er–Al bond lengths are 3.19 Å. There are a spread of Er–Ge bond distances ranging from 2.99–3.60 Å. In the third Er site, Er is bonded in a 8-coordinate geometry to two equivalent Al and six Ge atoms. Both Er–Al bond lengths are 3.19 Å. There are a spread of Er–Ge bond distances ranging from 3.00–3.04 Å. Al is bonded in a 4-coordinate geometry to four Er and four Ge atoms. There are two shorter (2.68 Å) and two longer (2.70 Å) Al–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms. There are one shorter (2.57 Å) and two longer (2.75 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Al, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the fourth Ge site, Ge is bonded to eight Er and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing GeEr8Ge4 cuboctahedra.},
doi = {10.17188/1710636},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}