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Title: Materials Data on Sm2Ge6Au by Materials Project

Abstract

Sm2AuGe6 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 a spread of Sm–Ge bond distances ranging from 3.05–3.16 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to four equivalent Au and ten Ge atoms. All Sm–Au bond lengths are 3.23 Å. There are a spread of Sm–Ge bond distances ranging from 3.18–3.54 Å. Au is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.49–2.60 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.51 Å. 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 2.95 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Au, and one Ge atom. The Ge–Gemore » bond length is 2.52 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 Au, 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-1206261
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; Sm2Ge6Au; Au-Ge-Sm
OSTI Identifier:
1679179
DOI:
https://doi.org/10.17188/1679179

Citation Formats

The Materials Project. Materials Data on Sm2Ge6Au by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1679179.
The Materials Project. Materials Data on Sm2Ge6Au by Materials Project. United States. doi:https://doi.org/10.17188/1679179
The Materials Project. 2019. "Materials Data on Sm2Ge6Au by Materials Project". United States. doi:https://doi.org/10.17188/1679179. https://www.osti.gov/servlets/purl/1679179. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1679179,
title = {Materials Data on Sm2Ge6Au by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2AuGe6 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 a spread of Sm–Ge bond distances ranging from 3.05–3.16 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to four equivalent Au and ten Ge atoms. All Sm–Au bond lengths are 3.23 Å. There are a spread of Sm–Ge bond distances ranging from 3.18–3.54 Å. Au is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.49–2.60 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.51 Å. 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 2.95 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.52 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 Au, 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 = {10.17188/1679179},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}