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Title: Materials Data on Sm(BRu)2 by Materials Project

Abstract

Sm(RuB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent B3- atoms to form distorted SmB6 octahedra that share corners with four equivalent SmB6 octahedra, corners with twelve equivalent RuB4 tetrahedra, edges with four equivalent SmB6 octahedra, and edges with six equivalent RuB4 tetrahedra. The corner-sharing octahedral tilt angles are 22°. There are two shorter (2.86 Å) and four longer (3.03 Å) Sm–B bond lengths. Ru2+ is bonded to four equivalent B3- atoms to form distorted RuB4 tetrahedra that share corners with six equivalent SmB6 octahedra, corners with six equivalent RuB4 tetrahedra, edges with three equivalent SmB6 octahedra, and edges with three equivalent RuB4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–94°. There are two shorter (2.07 Å) and two longer (2.16 Å) Ru–B bond lengths. B3- is bonded in a 7-coordinate geometry to three equivalent Sm2+ and four equivalent Ru2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-978771
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; Sm(BRu)2; B-Ru-Sm
OSTI Identifier:
1315983
DOI:
10.17188/1315983

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sm(BRu)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1315983.
Persson, Kristin, & Project, Materials. Materials Data on Sm(BRu)2 by Materials Project. United States. doi:10.17188/1315983.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Sm(BRu)2 by Materials Project". United States. doi:10.17188/1315983. https://www.osti.gov/servlets/purl/1315983. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1315983,
title = {Materials Data on Sm(BRu)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sm(RuB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent B3- atoms to form distorted SmB6 octahedra that share corners with four equivalent SmB6 octahedra, corners with twelve equivalent RuB4 tetrahedra, edges with four equivalent SmB6 octahedra, and edges with six equivalent RuB4 tetrahedra. The corner-sharing octahedral tilt angles are 22°. There are two shorter (2.86 Å) and four longer (3.03 Å) Sm–B bond lengths. Ru2+ is bonded to four equivalent B3- atoms to form distorted RuB4 tetrahedra that share corners with six equivalent SmB6 octahedra, corners with six equivalent RuB4 tetrahedra, edges with three equivalent SmB6 octahedra, and edges with three equivalent RuB4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–94°. There are two shorter (2.07 Å) and two longer (2.16 Å) Ru–B bond lengths. B3- is bonded in a 7-coordinate geometry to three equivalent Sm2+ and four equivalent Ru2+ atoms.},
doi = {10.17188/1315983},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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