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Title: Materials Data on Sm2CuGe6 by Materials Project

Abstract

Sm2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to ten Ge atoms. There are eight shorter (3.06 Å) and two longer (3.23 Å) Sm–Ge bond lengths. In the second Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Cu and ten Ge atoms. All Sm–Cu bond lengths are 3.16 Å. There are a spread of Sm–Ge bond distances ranging from 3.13–3.38 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.35–2.44 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sm, two equivalent Cu, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.92 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Sm and five Ge atoms. All Ge–Ge bond lengths are 2.92 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm,more » two equivalent Cu, and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Sm and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms.« less

Publication Date:
Other Number(s):
mp-1206837
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; Sm2CuGe6; Cu-Ge-Sm
OSTI Identifier:
1652178
DOI:
https://doi.org/10.17188/1652178

Citation Formats

The Materials Project. Materials Data on Sm2CuGe6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652178.
The Materials Project. Materials Data on Sm2CuGe6 by Materials Project. United States. doi:https://doi.org/10.17188/1652178
The Materials Project. 2019. "Materials Data on Sm2CuGe6 by Materials Project". United States. doi:https://doi.org/10.17188/1652178. https://www.osti.gov/servlets/purl/1652178. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1652178,
title = {Materials Data on Sm2CuGe6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to ten Ge atoms. There are eight shorter (3.06 Å) and two longer (3.23 Å) Sm–Ge bond lengths. In the second Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Cu and ten Ge atoms. All Sm–Cu bond lengths are 3.16 Å. There are a spread of Sm–Ge bond distances ranging from 3.13–3.38 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.35–2.44 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sm, two equivalent Cu, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.92 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Sm and five Ge atoms. All Ge–Ge bond lengths are 2.92 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Cu, and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Sm and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms.},
doi = {10.17188/1652178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}