U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmGa7Co5 by Materials Project
Abstract
SmCo5Ga7 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sm is bonded in a 3-coordinate geometry to six Co and fourteen Ga atoms. There are a spread of Sm–Co bond distances ranging from 3.03–3.23 Å. There are a spread of Sm–Ga bond distances ranging from 3.20–3.42 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Sm, five Co, and eight Ga atoms. There are one shorter (2.54 Å) and four longer (3.09 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.57–2.75 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to one Sm, seven Co, and six Ga atoms. There are two shorter (2.79 Å) and four longer (3.01 Å) Co–Co bond lengths. There are four shorter (2.55 Å) and two longer (2.58 Å) Co–Ga bond lengths. In the third Co site, Co is bonded in a 9-coordinate geometry to one Sm, six Co, and seven Ga atoms. There are one shorter (2.48 Å) and one longer (2.76 Å) Co–Co bond lengths. There are a spread of Co–Gamore »
- Publication Date:
- Other Number(s):
- mp-1219048
- 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; Co-Ga-Sm; SmGa7Co5; crystal structure
- OSTI Identifier:
- 1695051
- DOI:
- https://doi.org/10.17188/1695051
Citation Formats
Materials Data on SmGa7Co5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695051.
Materials Data on SmGa7Co5 by Materials Project. United States. doi:https://doi.org/10.17188/1695051
2020.
"Materials Data on SmGa7Co5 by Materials Project". United States. doi:https://doi.org/10.17188/1695051. https://www.osti.gov/servlets/purl/1695051. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1695051,
title = {Materials Data on SmGa7Co5 by Materials Project},
abstractNote = {SmCo5Ga7 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sm is bonded in a 3-coordinate geometry to six Co and fourteen Ga atoms. There are a spread of Sm–Co bond distances ranging from 3.03–3.23 Å. There are a spread of Sm–Ga bond distances ranging from 3.20–3.42 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Sm, five Co, and eight Ga atoms. There are one shorter (2.54 Å) and four longer (3.09 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.57–2.75 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to one Sm, seven Co, and six Ga atoms. There are two shorter (2.79 Å) and four longer (3.01 Å) Co–Co bond lengths. There are four shorter (2.55 Å) and two longer (2.58 Å) Co–Ga bond lengths. In the third Co site, Co is bonded in a 9-coordinate geometry to one Sm, six Co, and seven Ga atoms. There are one shorter (2.48 Å) and one longer (2.76 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.49–2.82 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Sm, four Co, and six Ga atoms. There are four shorter (2.38 Å) and two longer (2.78 Å) Co–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Sm, five Co, and five Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaSm2Ga5Co5 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.47–2.59 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, four Co, and four equivalent Ga atoms. In the third Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Sm, five Co, and four equivalent Ga atoms.},
doi = {10.17188/1695051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}