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Title: Materials Data on SrSmB12 by Materials Project

Abstract

SrSmB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to twenty-four B atoms. There are eight shorter (3.06 Å) and sixteen longer (3.07 Å) Sr–B bond lengths. Sm is bonded in a 1-coordinate geometry to twenty-four B atoms. All Sm–B bond lengths are 3.05 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Sr, two equivalent Sm, and five B atoms. There are a spread of B–B bond distances ranging from 1.67–1.76 Å. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Sr and five B atoms. The B–B bond length is 1.69 Å. In the third B site, B is bonded in a 1-coordinate geometry to four equivalent Sm and five B atoms. The B–B bond length is 1.65 Å.

Authors:
Publication Date:
Other Number(s):
mp-1217758
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; SrSmB12; B-Sm-Sr
OSTI Identifier:
1718415
DOI:
https://doi.org/10.17188/1718415

Citation Formats

The Materials Project. Materials Data on SrSmB12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718415.
The Materials Project. Materials Data on SrSmB12 by Materials Project. United States. doi:https://doi.org/10.17188/1718415
The Materials Project. 2020. "Materials Data on SrSmB12 by Materials Project". United States. doi:https://doi.org/10.17188/1718415. https://www.osti.gov/servlets/purl/1718415. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1718415,
title = {Materials Data on SrSmB12 by Materials Project},
author = {The Materials Project},
abstractNote = {SrSmB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to twenty-four B atoms. There are eight shorter (3.06 Å) and sixteen longer (3.07 Å) Sr–B bond lengths. Sm is bonded in a 1-coordinate geometry to twenty-four B atoms. All Sm–B bond lengths are 3.05 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Sr, two equivalent Sm, and five B atoms. There are a spread of B–B bond distances ranging from 1.67–1.76 Å. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Sr and five B atoms. The B–B bond length is 1.69 Å. In the third B site, B is bonded in a 1-coordinate geometry to four equivalent Sm and five B atoms. The B–B bond length is 1.65 Å.},
doi = {10.17188/1718415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}