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Title: Materials Data on Sm3Ge13Pt4 by Materials Project

Abstract

Sm3Pt4Ge13 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.18–3.25 Å. There are a spread of Sm–Ge bond distances ranging from 3.07–3.53 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.22–3.29 Å. There are a spread of Sm–Ge bond distances ranging from 3.05–3.55 Å. In the third Sm site, Sm is bonded in a 1-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.23–3.27 Å. There are a spread of Sm–Ge bond distances ranging from 3.01–3.57 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three Sm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.60 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three Sm andmore » six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.55–2.63 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to three Sm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.54–2.61 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to three Sm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.63 Å. There are thirteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.80–2.95 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two equivalent Pt, and two Ge atoms. There are one shorter (2.55 Å) and one longer (2.70 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to three Sm, two Pt, and three Ge atoms. There are one shorter (2.68 Å) and one longer (2.79 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.78 Å. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Sm, two equivalent Pt, and two Ge atoms. There are one shorter (2.77 Å) and one longer (2.79 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three Sm, two Pt, and two Ge atoms. In the seventh Ge site, Ge is bonded in a 4-coordinate geometry to three Sm, two Pt, and three Ge atoms. In the eighth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.71 Å. In the ninth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.76 Å. In the tenth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. In the eleventh Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.73 Å. In the twelfth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. In the thirteenth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1195135
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; Sm3Ge13Pt4; Ge-Pt-Sm
OSTI Identifier:
1705291
DOI:
https://doi.org/10.17188/1705291

Citation Formats

The Materials Project. Materials Data on Sm3Ge13Pt4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705291.
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The Materials Project. Materials Data on Sm3Ge13Pt4 by Materials Project. United States. doi:https://doi.org/10.17188/1705291
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The Materials Project. 2020. "Materials Data on Sm3Ge13Pt4 by Materials Project". United States. doi:https://doi.org/10.17188/1705291. https://www.osti.gov/servlets/purl/1705291. Pub date:Sun May 03 00:00:00 EDT 2020
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@article{osti_1705291,
title = {Materials Data on Sm3Ge13Pt4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm3Pt4Ge13 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.18–3.25 Å. There are a spread of Sm–Ge bond distances ranging from 3.07–3.53 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.22–3.29 Å. There are a spread of Sm–Ge bond distances ranging from 3.05–3.55 Å. In the third Sm site, Sm is bonded in a 1-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.23–3.27 Å. There are a spread of Sm–Ge bond distances ranging from 3.01–3.57 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three Sm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.60 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three Sm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.55–2.63 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to three Sm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.54–2.61 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to three Sm and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.63 Å. There are thirteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.80–2.95 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two equivalent Pt, and two Ge atoms. There are one shorter (2.55 Å) and one longer (2.70 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to three Sm, two Pt, and three Ge atoms. There are one shorter (2.68 Å) and one longer (2.79 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.78 Å. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Sm, two equivalent Pt, and two Ge atoms. There are one shorter (2.77 Å) and one longer (2.79 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three Sm, two Pt, and two Ge atoms. In the seventh Ge site, Ge is bonded in a 4-coordinate geometry to three Sm, two Pt, and three Ge atoms. In the eighth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.71 Å. In the ninth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.76 Å. In the tenth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. In the eleventh Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.73 Å. In the twelfth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms. In the thirteenth Ge site, Ge is bonded in a 2-coordinate geometry to three Sm, two Pt, and two Ge atoms.},
doi = {10.17188/1705291},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1705291
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