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Title: Materials Data on Sm2NiGe3 by Materials Project

Abstract

Sm2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to two equivalent Ni and ten Ge atoms to form a mixture of edge and face-sharing SmNi2Ge10 cuboctahedra. Both Sm–Ni bond lengths are 3.09 Å. There are a spread of Sm–Ge bond distances ranging from 3.19–3.30 Å. In the second Sm site, Sm is bonded to four equivalent Ni and eight Ge atoms to form a mixture of edge and face-sharing SmNi4Ge8 cuboctahedra. All Sm–Ni bond lengths are 3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.03–3.20 Å. Ni is bonded in a 3-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.30 Å) and two longer (2.32 Å) Ni–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.52 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sm, two equivalent Ni, andmore » one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Ni, and two equivalent Ge atoms.« less

Publication Date:
Other Number(s):
mp-1219188
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; Sm2NiGe3; Ge-Ni-Sm
OSTI Identifier:
1684270
DOI:
https://doi.org/10.17188/1684270

Citation Formats

The Materials Project. Materials Data on Sm2NiGe3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684270.
The Materials Project. Materials Data on Sm2NiGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1684270
The Materials Project. 2019. "Materials Data on Sm2NiGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1684270. https://www.osti.gov/servlets/purl/1684270. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684270,
title = {Materials Data on Sm2NiGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to two equivalent Ni and ten Ge atoms to form a mixture of edge and face-sharing SmNi2Ge10 cuboctahedra. Both Sm–Ni bond lengths are 3.09 Å. There are a spread of Sm–Ge bond distances ranging from 3.19–3.30 Å. In the second Sm site, Sm is bonded to four equivalent Ni and eight Ge atoms to form a mixture of edge and face-sharing SmNi4Ge8 cuboctahedra. All Sm–Ni bond lengths are 3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.03–3.20 Å. Ni is bonded in a 3-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.30 Å) and two longer (2.32 Å) Ni–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.52 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sm, two equivalent Ni, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Ni, and two equivalent Ge atoms.},
doi = {10.17188/1684270},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}