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Title: Materials Data on Sm2Si3Ge by Materials Project

Abstract

Sm2GeSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Ge and eight Si atoms to form a mixture of edge and face-sharing SmSi8Ge4 cuboctahedra. All Sm–Ge bond lengths are 3.14 Å. There are a spread of Sm–Si bond distances ranging from 3.14–3.40 Å. In the second Sm site, Sm is bonded to two equivalent Ge and ten Si atoms to form a mixture of edge and face-sharing SmSi10Ge2 cuboctahedra. Both Sm–Ge bond lengths are 3.31 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.17 Å. Ge is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are two shorter (2.48 Å) and one longer (2.57 Å) Ge–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Sm, one Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Sm and three Si atoms. The Si–Si bond lengthmore » is 2.41 Å. In the third Si site, Si is bonded in a 2-coordinate geometry to six Sm, two equivalent Ge, and one Si atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1219185
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sm2Si3Ge; Ge-Si-Sm
OSTI Identifier:
1691302
DOI:
https://doi.org/10.17188/1691302

Citation Formats

The Materials Project. Materials Data on Sm2Si3Ge by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1691302.
The Materials Project. Materials Data on Sm2Si3Ge by Materials Project. United States. doi:https://doi.org/10.17188/1691302
The Materials Project. 2019. "Materials Data on Sm2Si3Ge by Materials Project". United States. doi:https://doi.org/10.17188/1691302. https://www.osti.gov/servlets/purl/1691302. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1691302,
title = {Materials Data on Sm2Si3Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2GeSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Ge and eight Si atoms to form a mixture of edge and face-sharing SmSi8Ge4 cuboctahedra. All Sm–Ge bond lengths are 3.14 Å. There are a spread of Sm–Si bond distances ranging from 3.14–3.40 Å. In the second Sm site, Sm is bonded to two equivalent Ge and ten Si atoms to form a mixture of edge and face-sharing SmSi10Ge2 cuboctahedra. Both Sm–Ge bond lengths are 3.31 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.17 Å. Ge is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are two shorter (2.48 Å) and one longer (2.57 Å) Ge–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Sm, one Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Sm and three Si atoms. The Si–Si bond length is 2.41 Å. In the third Si site, Si is bonded in a 2-coordinate geometry to six Sm, two equivalent Ge, and one Si atom.},
doi = {10.17188/1691302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}