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Title: Materials Data on Er2CuGe6 by Materials Project

Abstract

Er2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are eight shorter (2.98 Å) and two longer (3.11 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to four equivalent Cu and ten Ge atoms. All Er–Cu bond lengths are 3.11 Å. There are a spread of Er–Ge bond distances ranging from 3.09–3.39 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 2.32–2.42 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Er, two equivalent Cu, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.88 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Er andmore » two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six Er, one Cu, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Er, two equivalent Cu, and five Ge atoms.« less

Publication Date:
Other Number(s):
mp-1080743
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; Er2CuGe6; Cu-Er-Ge
OSTI Identifier:
1653043
DOI:
https://doi.org/10.17188/1653043

Citation Formats

The Materials Project. Materials Data on Er2CuGe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1653043.
The Materials Project. Materials Data on Er2CuGe6 by Materials Project. United States. doi:https://doi.org/10.17188/1653043
The Materials Project. 2020. "Materials Data on Er2CuGe6 by Materials Project". United States. doi:https://doi.org/10.17188/1653043. https://www.osti.gov/servlets/purl/1653043. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1653043,
title = {Materials Data on Er2CuGe6 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are eight shorter (2.98 Å) and two longer (3.11 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to four equivalent Cu and ten Ge atoms. All Er–Cu bond lengths are 3.11 Å. There are a spread of Er–Ge bond distances ranging from 3.09–3.39 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 2.32–2.42 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Er, two equivalent Cu, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.88 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six Er, one Cu, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Er, two equivalent Cu, and five Ge atoms.},
doi = {10.17188/1653043},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}