U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2Ga8Co by Materials Project
Abstract
Sm2CoGa8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Ga atoms to form a mixture of corner and face-sharing SmGa12 cuboctahedra. There are a spread of Sm–Ga bond distances ranging from 3.03–3.08 Å. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.50 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.04 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. There are one shorter (2.57 Å) and two longer (3.00 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. Both Ga–Sm bond lengths are 3.03 Å. There are two shorter (3.00 Å) and four longer (3.04 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalentmore »
- Publication Date:
- Other Number(s):
- mp-1101871
- 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; Sm2Ga8Co; crystal structure
- OSTI Identifier:
- 1699269
- DOI:
- https://doi.org/10.17188/1699269
Citation Formats
Materials Data on Sm2Ga8Co by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699269.
Materials Data on Sm2Ga8Co by Materials Project. United States. doi:https://doi.org/10.17188/1699269
2020.
"Materials Data on Sm2Ga8Co by Materials Project". United States. doi:https://doi.org/10.17188/1699269. https://www.osti.gov/servlets/purl/1699269. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1699269,
title = {Materials Data on Sm2Ga8Co by Materials Project},
abstractNote = {Sm2CoGa8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Ga atoms to form a mixture of corner and face-sharing SmGa12 cuboctahedra. There are a spread of Sm–Ga bond distances ranging from 3.03–3.08 Å. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.50 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.04 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. There are one shorter (2.57 Å) and two longer (3.00 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. Both Ga–Sm bond lengths are 3.03 Å. There are two shorter (3.00 Å) and four longer (3.04 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. Both Ga–Sm bond lengths are 3.03 Å. Both Ga–Ga bond lengths are 3.00 Å. In the fifth Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sm atoms. In the sixth Ga site, Ga is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sm and four Ga atoms.},
doi = {10.17188/1699269},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}