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Title: Materials Data on Sm13Zn58 by Materials Project

Abstract

Sm13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 2.91–3.52 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.06–3.34 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.00–3.26 Å. In the fourth Sm site, Sm is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.05–3.26 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.68 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Sm and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–3.03 Å. In the third Znmore » site, Zn is bonded in a 10-coordinate geometry to four Sm and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.72 Å. In the fourth Zn site, Zn is bonded to two equivalent Sm and ten Zn atoms to form face-sharing ZnSm2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.68–2.74 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to four Sm and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.76 Å. In the sixth Zn site, Zn is bonded in a 9-coordinate geometry to three Sm and six Zn atoms. There are two shorter (2.59 Å) and two longer (2.91 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 7-coordinate geometry to three Sm and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–3.07 Å. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to four Sm and five Zn atoms. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Sm and seven Zn atoms. There are one shorter (2.63 Å) and two longer (2.80 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to five Sm and six equivalent Zn atoms. In the eleventh Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Zn atoms. In the twelfth Zn site, Zn is bonded to three equivalent Sm and nine Zn atoms to form face-sharing ZnSm3Zn9 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1198409
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; Sm13Zn58; Sm-Zn
OSTI Identifier:
1717155
DOI:
https://doi.org/10.17188/1717155

Citation Formats

The Materials Project. Materials Data on Sm13Zn58 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1717155.
The Materials Project. Materials Data on Sm13Zn58 by Materials Project. United States. doi:https://doi.org/10.17188/1717155
The Materials Project. 2019. "Materials Data on Sm13Zn58 by Materials Project". United States. doi:https://doi.org/10.17188/1717155. https://www.osti.gov/servlets/purl/1717155. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717155,
title = {Materials Data on Sm13Zn58 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 2.91–3.52 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.06–3.34 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.00–3.26 Å. In the fourth Sm site, Sm is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.05–3.26 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.68 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Sm and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–3.03 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four Sm and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.72 Å. In the fourth Zn site, Zn is bonded to two equivalent Sm and ten Zn atoms to form face-sharing ZnSm2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.68–2.74 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to four Sm and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.76 Å. In the sixth Zn site, Zn is bonded in a 9-coordinate geometry to three Sm and six Zn atoms. There are two shorter (2.59 Å) and two longer (2.91 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 7-coordinate geometry to three Sm and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–3.07 Å. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to four Sm and five Zn atoms. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Sm and seven Zn atoms. There are one shorter (2.63 Å) and two longer (2.80 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to five Sm and six equivalent Zn atoms. In the eleventh Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Zn atoms. In the twelfth Zn site, Zn is bonded to three equivalent Sm and nine Zn atoms to form face-sharing ZnSm3Zn9 cuboctahedra.},
doi = {10.17188/1717155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}