U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2Si3Ge by Materials Project
Abstract
Sm2GeSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Ge and eight Si atoms to form a mixture of edge and face-sharing SmSi8Ge4 cuboctahedra. All Sm–Ge bond lengths are 3.14 Å. There are a spread of Sm–Si bond distances ranging from 3.14–3.40 Å. In the second Sm site, Sm is bonded to two equivalent Ge and ten Si atoms to form a mixture of edge and face-sharing SmSi10Ge2 cuboctahedra. Both Sm–Ge bond lengths are 3.31 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.17 Å. Ge is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are two shorter (2.48 Å) and one longer (2.57 Å) Ge–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Sm, one Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Sm and three Si atoms. The Si–Si bond lengthmore »
- Publication Date:
- Other Number(s):
- mp-1219185
- 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; Ge-Si-Sm; Sm2Si3Ge; crystal structure
- OSTI Identifier:
- 1691302
- DOI:
- https://doi.org/10.17188/1691302
Citation Formats
Materials Data on Sm2Si3Ge by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1691302.
Materials Data on Sm2Si3Ge by Materials Project. United States. doi:https://doi.org/10.17188/1691302
2019.
"Materials Data on Sm2Si3Ge by Materials Project". United States. doi:https://doi.org/10.17188/1691302. https://www.osti.gov/servlets/purl/1691302. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1691302,
title = {Materials Data on Sm2Si3Ge by Materials Project},
abstractNote = {Sm2GeSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Ge and eight Si atoms to form a mixture of edge and face-sharing SmSi8Ge4 cuboctahedra. All Sm–Ge bond lengths are 3.14 Å. There are a spread of Sm–Si bond distances ranging from 3.14–3.40 Å. In the second Sm site, Sm is bonded to two equivalent Ge and ten Si atoms to form a mixture of edge and face-sharing SmSi10Ge2 cuboctahedra. Both Sm–Ge bond lengths are 3.31 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.17 Å. Ge is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are two shorter (2.48 Å) and one longer (2.57 Å) Ge–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Sm, one Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Sm and three Si atoms. The Si–Si bond length is 2.41 Å. In the third Si site, Si is bonded in a 2-coordinate geometry to six Sm, two equivalent Ge, and one Si atom.},
doi = {10.17188/1691302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}