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Title: Materials Data on Sm2Ge3Pt by Materials Project

Abstract

Sm2PtGe3 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 Pt and ten Ge atoms to form a mixture of face and edge-sharing SmGe10Pt2 cuboctahedra. Both Sm–Pt bond lengths are 3.15 Å. There are a spread of Sm–Ge bond distances ranging from 3.21–3.27 Å. In the second Sm site, Sm is bonded to four equivalent Pt and eight Ge atoms to form a mixture of face and edge-sharing SmGe8Pt4 cuboctahedra. All Sm–Pt bond lengths are 3.26 Å. There are a spread of Sm–Ge bond distances ranging from 3.13–3.24 Å. Pt is bonded in a 3-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.44 Å) and two longer (2.46 Å) Pt–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 (2.49 Å) and two longer (2.53 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Sm, two equivalent Pt, andmore » one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Pt, and two equivalent Ge atoms.« less

Publication Date:
Other Number(s):
mp-1219233
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; Sm2Ge3Pt; Ge-Pt-Sm
OSTI Identifier:
1723223
DOI:
https://doi.org/10.17188/1723223

Citation Formats

The Materials Project. Materials Data on Sm2Ge3Pt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723223.
The Materials Project. Materials Data on Sm2Ge3Pt by Materials Project. United States. doi:https://doi.org/10.17188/1723223
The Materials Project. 2020. "Materials Data on Sm2Ge3Pt by Materials Project". United States. doi:https://doi.org/10.17188/1723223. https://www.osti.gov/servlets/purl/1723223. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1723223,
title = {Materials Data on Sm2Ge3Pt by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2PtGe3 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 Pt and ten Ge atoms to form a mixture of face and edge-sharing SmGe10Pt2 cuboctahedra. Both Sm–Pt bond lengths are 3.15 Å. There are a spread of Sm–Ge bond distances ranging from 3.21–3.27 Å. In the second Sm site, Sm is bonded to four equivalent Pt and eight Ge atoms to form a mixture of face and edge-sharing SmGe8Pt4 cuboctahedra. All Sm–Pt bond lengths are 3.26 Å. There are a spread of Sm–Ge bond distances ranging from 3.13–3.24 Å. Pt is bonded in a 3-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.44 Å) and two longer (2.46 Å) Pt–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 (2.49 Å) and two longer (2.53 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Sm, two equivalent Pt, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Pt, and two equivalent Ge atoms.},
doi = {10.17188/1723223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}