U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm3(CuSn)4 by Materials Project
Abstract
Sm3Cu4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are four shorter (3.18 Å) and two longer (3.21 Å) Sm–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.30 Å) Sm–Sn bond lengths. In the second Sm site, Sm is bonded to six Sn atoms to form distorted edge-sharing SmSn6 octahedra. There are four shorter (3.07 Å) and two longer (3.20 Å) Sm–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Sm, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.60 Å. There are a spread of Cu–Sn bond distances ranging from 2.63–2.76 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Sm and six equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Sm, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.80 Å.
- Publication Date:
- Other Number(s):
- mp-1205497
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cu-Sm-Sn; Sm3(CuSn)4; crystal structure
- OSTI Identifier:
- 1723775
- DOI:
- https://doi.org/10.17188/1723775
Citation Formats
Materials Data on Sm3(CuSn)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1723775.
Materials Data on Sm3(CuSn)4 by Materials Project. United States. doi:https://doi.org/10.17188/1723775
2019.
"Materials Data on Sm3(CuSn)4 by Materials Project". United States. doi:https://doi.org/10.17188/1723775. https://www.osti.gov/servlets/purl/1723775. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1723775,
title = {Materials Data on Sm3(CuSn)4 by Materials Project},
abstractNote = {Sm3Cu4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are four shorter (3.18 Å) and two longer (3.21 Å) Sm–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.30 Å) Sm–Sn bond lengths. In the second Sm site, Sm is bonded to six Sn atoms to form distorted edge-sharing SmSn6 octahedra. There are four shorter (3.07 Å) and two longer (3.20 Å) Sm–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Sm, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.60 Å. There are a spread of Cu–Sn bond distances ranging from 2.63–2.76 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Sm and six equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Sm, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.80 Å.},
doi = {10.17188/1723775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}