DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CaSmB12 by Materials Project

Abstract

CaSmB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to twenty-four B atoms. All Ca–B bond lengths are 3.04 Å. Sm is bonded in a 8-coordinate geometry to twenty-four B atoms. All Sm–B bond lengths are 3.04 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Ca, two equivalent Sm, and five B atoms. There is one shorter (1.66 Å) and four longer (1.75 Å) B–B bond length. In the second 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. In the third B site, B is bonded in a 1-coordinate geometry to four equivalent Ca and five B atoms. The B–B bond length is 1.66 Å.

Authors:
Publication Date:
Other Number(s):
mp-1227050
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; CaSmB12; B-Ca-Sm
OSTI Identifier:
1684071
DOI:
https://doi.org/10.17188/1684071

Citation Formats

The Materials Project. Materials Data on CaSmB12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684071.
The Materials Project. Materials Data on CaSmB12 by Materials Project. United States. doi:https://doi.org/10.17188/1684071
The Materials Project. 2020. "Materials Data on CaSmB12 by Materials Project". United States. doi:https://doi.org/10.17188/1684071. https://www.osti.gov/servlets/purl/1684071. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1684071,
title = {Materials Data on CaSmB12 by Materials Project},
author = {The Materials Project},
abstractNote = {CaSmB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to twenty-four B atoms. All Ca–B bond lengths are 3.04 Å. Sm is bonded in a 8-coordinate geometry to twenty-four B atoms. All Sm–B bond lengths are 3.04 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Ca, two equivalent Sm, and five B atoms. There is one shorter (1.66 Å) and four longer (1.75 Å) B–B bond length. In the second 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. In the third B site, B is bonded in a 1-coordinate geometry to four equivalent Ca and five B atoms. The B–B bond length is 1.66 Å.},
doi = {10.17188/1684071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}