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Title: Materials Data on Sm3(Ni3Sn2)2 by Materials Project

Abstract

Sm3(Ni3Sn2)2 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six Ni and six Sn atoms. There are a spread of Sm–Ni bond distances ranging from 3.01–3.52 Å. There are a spread of Sm–Sn bond distances ranging from 3.20–3.33 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to four equivalent Sm, three equivalent Ni, and four Sn atoms. There are two shorter (2.59 Å) and one longer (2.67 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.58–2.74 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to two equivalent Sm, five Ni, and three equivalent Sn atoms. Both Ni–Ni bond lengths are 2.56 Å. There are one shorter (2.54 Å) and two longer (2.57 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted q6 geometry to four equivalent Sm and six Ni atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-1209076
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; Sm3(Ni3Sn2)2; Ni-Sm-Sn
OSTI Identifier:
1662815
DOI:
https://doi.org/10.17188/1662815

Citation Formats

The Materials Project. Materials Data on Sm3(Ni3Sn2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662815.
The Materials Project. Materials Data on Sm3(Ni3Sn2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662815
The Materials Project. 2020. "Materials Data on Sm3(Ni3Sn2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662815. https://www.osti.gov/servlets/purl/1662815. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1662815,
title = {Materials Data on Sm3(Ni3Sn2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm3(Ni3Sn2)2 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six Ni and six Sn atoms. There are a spread of Sm–Ni bond distances ranging from 3.01–3.52 Å. There are a spread of Sm–Sn bond distances ranging from 3.20–3.33 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to four equivalent Sm, three equivalent Ni, and four Sn atoms. There are two shorter (2.59 Å) and one longer (2.67 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.58–2.74 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to two equivalent Sm, five Ni, and three equivalent Sn atoms. Both Ni–Ni bond lengths are 2.56 Å. There are one shorter (2.54 Å) and two longer (2.57 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted q6 geometry to four equivalent Sm and six Ni atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ni atoms.},
doi = {10.17188/1662815},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}