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Title: Materials Data on SmYB12 by Materials Project

Abstract

SmYB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to twenty-four B+0.50- atoms. All Sm–B bond lengths are 3.02 Å. Y3+ is bonded in a 1-coordinate geometry to twenty-four B+0.50- atoms. All Y–B bond lengths are 3.02 Å. There are three inequivalent B+0.50- sites. In the first B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to two equivalent Sm3+, two equivalent Y3+, and five B+0.50- atoms. There is one shorter (1.64 Å) and four longer (1.75 Å) B–B bond length. In the second B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to four equivalent Y3+ and five B+0.50- atoms. The B–B bond length is 1.63 Å. In the third B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to four equivalent Sm3+ and five B+0.50- atoms. The B–B bond length is 1.64 Å.

Publication Date:
Other Number(s):
mp-1218969
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; SmYB12; B-Sm-Y
OSTI Identifier:
1710639
DOI:
https://doi.org/10.17188/1710639

Citation Formats

The Materials Project. Materials Data on SmYB12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710639.
The Materials Project. Materials Data on SmYB12 by Materials Project. United States. doi:https://doi.org/10.17188/1710639
The Materials Project. 2020. "Materials Data on SmYB12 by Materials Project". United States. doi:https://doi.org/10.17188/1710639. https://www.osti.gov/servlets/purl/1710639. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710639,
title = {Materials Data on SmYB12 by Materials Project},
author = {The Materials Project},
abstractNote = {SmYB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to twenty-four B+0.50- atoms. All Sm–B bond lengths are 3.02 Å. Y3+ is bonded in a 1-coordinate geometry to twenty-four B+0.50- atoms. All Y–B bond lengths are 3.02 Å. There are three inequivalent B+0.50- sites. In the first B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to two equivalent Sm3+, two equivalent Y3+, and five B+0.50- atoms. There is one shorter (1.64 Å) and four longer (1.75 Å) B–B bond length. In the second B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to four equivalent Y3+ and five B+0.50- atoms. The B–B bond length is 1.63 Å. In the third B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to four equivalent Sm3+ and five B+0.50- atoms. The B–B bond length is 1.64 Å.},
doi = {10.17188/1710639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}