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Title: Materials Data on Sm2(CuSn)3 by Materials Project

Abstract

Sm2(CuSn)3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to four equivalent Sm, one Cu, and one Sn atom. There are two shorter (2.87 Å) and two longer (3.21 Å) Sm–Sm bond lengths. The Sm–Cu bond length is 2.85 Å. The Sm–Sn bond length is 3.19 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 6-coordinate geometry to one Sm, four equivalent Cu, and one Sn atom. There are two shorter (2.87 Å) and two longer (3.21 Å) Cu–Cu bond lengths. The Cu–Sn bond length is 2.66 Å. In the second Cu site, Cu is bonded to four equivalent Cu and two equivalent Sn atoms to form distorted CuCu4Sn2 octahedra that share corners with four equivalent CuCu4Sn2 octahedra, edges with four equivalent CuCu4Sn2 octahedra, and edges with eight equivalent SnSmCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.87 Å) and two longer (3.21 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.52 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to one Sm, one Cu, and four equivalent Snmore » atoms to form distorted SnSmCuSn4 octahedra that share corners with five equivalent SnSmCuSn4 octahedra, edges with four equivalent CuCu4Sn2 octahedra, and edges with four equivalent SnSmCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.87 Å) and two longer (3.21 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded to two equivalent Cu and four equivalent Sn atoms to form a mixture of distorted edge and corner-sharing SnCu2Sn4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.87 Å) and two longer (3.21 Å) Sn–Sn bond lengths.« less

Authors:
Publication Date:
Other Number(s):
mp-1206240
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; Sm2(CuSn)3; Cu-Sm-Sn
OSTI Identifier:
1689697
DOI:
https://doi.org/10.17188/1689697

Citation Formats

The Materials Project. Materials Data on Sm2(CuSn)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689697.
The Materials Project. Materials Data on Sm2(CuSn)3 by Materials Project. United States. doi:https://doi.org/10.17188/1689697
The Materials Project. 2019. "Materials Data on Sm2(CuSn)3 by Materials Project". United States. doi:https://doi.org/10.17188/1689697. https://www.osti.gov/servlets/purl/1689697. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1689697,
title = {Materials Data on Sm2(CuSn)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2(CuSn)3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to four equivalent Sm, one Cu, and one Sn atom. There are two shorter (2.87 Å) and two longer (3.21 Å) Sm–Sm bond lengths. The Sm–Cu bond length is 2.85 Å. The Sm–Sn bond length is 3.19 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 6-coordinate geometry to one Sm, four equivalent Cu, and one Sn atom. There are two shorter (2.87 Å) and two longer (3.21 Å) Cu–Cu bond lengths. The Cu–Sn bond length is 2.66 Å. In the second Cu site, Cu is bonded to four equivalent Cu and two equivalent Sn atoms to form distorted CuCu4Sn2 octahedra that share corners with four equivalent CuCu4Sn2 octahedra, edges with four equivalent CuCu4Sn2 octahedra, and edges with eight equivalent SnSmCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.87 Å) and two longer (3.21 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.52 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to one Sm, one Cu, and four equivalent Sn atoms to form distorted SnSmCuSn4 octahedra that share corners with five equivalent SnSmCuSn4 octahedra, edges with four equivalent CuCu4Sn2 octahedra, and edges with four equivalent SnSmCuSn4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.87 Å) and two longer (3.21 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded to two equivalent Cu and four equivalent Sn atoms to form a mixture of distorted edge and corner-sharing SnCu2Sn4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.87 Å) and two longer (3.21 Å) Sn–Sn bond lengths.},
doi = {10.17188/1689697},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}