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Title: Materials Data on Er4CuGe8 by Materials Project

Abstract

Er4CuGe8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.23 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.93–3.09 Å. In the third Er site, Er is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Er–Cu bond lengths are 3.08 Å. There are a spread of Er–Ge bond distances ranging from 3.03–3.35 Å. In the fourth Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.23 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Er and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.32–2.46 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Er, two equivalent Cu, and four equivalent Ge atoms. All Ge–Ge bondmore » lengths are 2.83 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.83 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Er, two equivalent Cu, and four equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Er, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to six Er and two equivalent Ge atoms. In the eighth Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms.« less

Publication Date:
Other Number(s):
mp-1225862
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; Er4CuGe8; Cu-Er-Ge
OSTI Identifier:
1652681
DOI:
https://doi.org/10.17188/1652681

Citation Formats

The Materials Project. Materials Data on Er4CuGe8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652681.
The Materials Project. Materials Data on Er4CuGe8 by Materials Project. United States. doi:https://doi.org/10.17188/1652681
The Materials Project. 2019. "Materials Data on Er4CuGe8 by Materials Project". United States. doi:https://doi.org/10.17188/1652681. https://www.osti.gov/servlets/purl/1652681. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1652681,
title = {Materials Data on Er4CuGe8 by Materials Project},
author = {The Materials Project},
abstractNote = {Er4CuGe8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.23 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.93–3.09 Å. In the third Er site, Er is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Er–Cu bond lengths are 3.08 Å. There are a spread of Er–Ge bond distances ranging from 3.03–3.35 Å. In the fourth Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.23 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Er and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.32–2.46 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Er, two equivalent Cu, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.83 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.83 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Er, two equivalent Cu, and four equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Er, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to six Er and two equivalent Ge atoms. In the eighth Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms.},
doi = {10.17188/1652681},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}