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Title: Materials Data on Sm11(CoB)40 by Materials Project

Abstract

Sm11(CoB)40 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are six inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six Co and eight B atoms. There are a spread of Sm–Co bond distances ranging from 2.89–2.95 Å. There are a spread of Sm–B bond distances ranging from 2.72–2.92 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to eight Co and eight B atoms. There are a spread of Sm–Co bond distances ranging from 2.88–3.05 Å. There are a spread of Sm–B bond distances ranging from 2.71–2.85 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to eight Co and ten B atoms. There are a spread of Sm–Co bond distances ranging from 2.89–3.19 Å. There are a spread of Sm–B bond distances ranging from 2.74–3.10 Å. In the fourth Sm site, Sm is bonded in a 6-coordinate geometry to eight Co and ten B atoms. There are a spread of Sm–Co bond distances ranging from 2.89–3.11 Å. There are a spread of Sm–B bond distances ranging from 2.77–3.23 Å. In the fifth Sm site, Sm is bonded in amore » 6-coordinate geometry to eight B atoms. There are a spread of Sm–B bond distances ranging from 2.73–2.99 Å. In the sixth Sm site, Sm is bonded in a 12-coordinate geometry to eight Co and eight B atoms. There are four shorter (2.90 Å) and four longer (3.04 Å) Sm–Co bond lengths. There are four shorter (2.78 Å) and four longer (2.82 Å) Sm–B bond lengths. There are ten inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.33 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.50 Å. In the third Co site, Co is bonded in a 5-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.43 Å. In the fourth Co site, Co is bonded in a 5-coordinate geometry to one Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.16 Å. In the fifth Co site, Co is bonded in a 5-coordinate geometry to one Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.22 Å. In the sixth Co site, Co is bonded in a 4-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.41 Å. In the seventh Co site, Co is bonded in a 5-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.25 Å. In the eighth Co site, Co is bonded in a 5-coordinate geometry to two equivalent Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.34 Å. In the ninth Co site, Co is bonded in a 4-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.48 Å. In the tenth Co site, Co is bonded in a 4-coordinate geometry to one Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.50 Å. There are ten inequivalent B sites. In the first B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom. The B–B bond length is 1.80 Å. In the second B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom. The B–B bond length is 1.79 Å. In the third B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom. The B–B bond length is 1.80 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. The B–B bond length is 1.78 Å. In the fifth B site, B is bonded in a 8-coordinate geometry to two equivalent Sm, five Co, and one B atom. The B–B bond length is 1.77 Å. In the sixth B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. In the seventh B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. In the eighth B site, B is bonded in a 5-coordinate geometry to two Sm, five Co, and one B atom. In the ninth B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. In the tenth B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom.« less

Authors:
Publication Date:
Other Number(s):
mp-649331
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; Sm11(CoB)40; B-Co-Sm
OSTI Identifier:
1280885
DOI:
https://doi.org/10.17188/1280885

Citation Formats

The Materials Project. Materials Data on Sm11(CoB)40 by Materials Project. United States: N. p., 2015. Web. doi:10.17188/1280885.
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The Materials Project. Materials Data on Sm11(CoB)40 by Materials Project. United States. doi:https://doi.org/10.17188/1280885
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The Materials Project. 2015. "Materials Data on Sm11(CoB)40 by Materials Project". United States. doi:https://doi.org/10.17188/1280885. https://www.osti.gov/servlets/purl/1280885. Pub date:Fri Dec 04 00:00:00 EST 2015
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@article{osti_1280885,
title = {Materials Data on Sm11(CoB)40 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm11(CoB)40 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are six inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six Co and eight B atoms. There are a spread of Sm–Co bond distances ranging from 2.89–2.95 Å. There are a spread of Sm–B bond distances ranging from 2.72–2.92 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to eight Co and eight B atoms. There are a spread of Sm–Co bond distances ranging from 2.88–3.05 Å. There are a spread of Sm–B bond distances ranging from 2.71–2.85 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to eight Co and ten B atoms. There are a spread of Sm–Co bond distances ranging from 2.89–3.19 Å. There are a spread of Sm–B bond distances ranging from 2.74–3.10 Å. In the fourth Sm site, Sm is bonded in a 6-coordinate geometry to eight Co and ten B atoms. There are a spread of Sm–Co bond distances ranging from 2.89–3.11 Å. There are a spread of Sm–B bond distances ranging from 2.77–3.23 Å. In the fifth Sm site, Sm is bonded in a 6-coordinate geometry to eight B atoms. There are a spread of Sm–B bond distances ranging from 2.73–2.99 Å. In the sixth Sm site, Sm is bonded in a 12-coordinate geometry to eight Co and eight B atoms. There are four shorter (2.90 Å) and four longer (3.04 Å) Sm–Co bond lengths. There are four shorter (2.78 Å) and four longer (2.82 Å) Sm–B bond lengths. There are ten inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.33 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.50 Å. In the third Co site, Co is bonded in a 5-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.43 Å. In the fourth Co site, Co is bonded in a 5-coordinate geometry to one Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.16 Å. In the fifth Co site, Co is bonded in a 5-coordinate geometry to one Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.22 Å. In the sixth Co site, Co is bonded in a 4-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.41 Å. In the seventh Co site, Co is bonded in a 5-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.25 Å. In the eighth Co site, Co is bonded in a 5-coordinate geometry to two equivalent Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.34 Å. In the ninth Co site, Co is bonded in a 4-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.48 Å. In the tenth Co site, Co is bonded in a 4-coordinate geometry to one Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.50 Å. There are ten inequivalent B sites. In the first B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom. The B–B bond length is 1.80 Å. In the second B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom. The B–B bond length is 1.79 Å. In the third B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom. The B–B bond length is 1.80 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. The B–B bond length is 1.78 Å. In the fifth B site, B is bonded in a 8-coordinate geometry to two equivalent Sm, five Co, and one B atom. The B–B bond length is 1.77 Å. In the sixth B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. In the seventh B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. In the eighth B site, B is bonded in a 5-coordinate geometry to two Sm, five Co, and one B atom. In the ninth B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. In the tenth B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom.},
doi = {10.17188/1280885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Dec 04 00:00:00 EST 2015},
month = {Fri Dec 04 00:00:00 EST 2015}
}
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DOI: https://doi.org/10.17188/1280885
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