U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2Ni7 by Materials Project
Abstract
Sm2Ni7 crystallizes in the hexagonal P6_3/mmc 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 twelve Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.85–3.19 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.88–3.27 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and six Ni atoms. There are three shorter (2.43 Å) and three longer (2.47 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to six equivalent Sm and six equivalent Ni atoms to form NiSm6Ni6 cuboctahedra that share corners with twelve equivalent NiSm5Ni7 cuboctahedra, edges with six equivalent NiSm6Ni6 cuboctahedra, and faces with eighteen equivalent NiSm5Ni7 cuboctahedra. All Ni–Ni bond lengths are 2.56 Å. In the third Ni site, Ni is bonded to four equivalent Sm and eight Ni atoms to form NiSm4Ni8 cuboctahedra that share corners with sixteen NiSm5Ni7 cuboctahedra, edges with ten NiSm5Ni7 cuboctahedra, and faces with ten NiSm4Ni8more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1200995
- 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; Sm2Ni7; Ni-Sm
- OSTI Identifier:
- 1652704
- DOI:
- https://doi.org/10.17188/1652704
Citation Formats
The Materials Project. Materials Data on Sm2Ni7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652704.
The Materials Project. Materials Data on Sm2Ni7 by Materials Project. United States. doi:https://doi.org/10.17188/1652704
The Materials Project. 2020.
"Materials Data on Sm2Ni7 by Materials Project". United States. doi:https://doi.org/10.17188/1652704. https://www.osti.gov/servlets/purl/1652704. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1652704,
title = {Materials Data on Sm2Ni7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Ni7 crystallizes in the hexagonal P6_3/mmc 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 twelve Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.85–3.19 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.88–3.27 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and six Ni atoms. There are three shorter (2.43 Å) and three longer (2.47 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to six equivalent Sm and six equivalent Ni atoms to form NiSm6Ni6 cuboctahedra that share corners with twelve equivalent NiSm5Ni7 cuboctahedra, edges with six equivalent NiSm6Ni6 cuboctahedra, and faces with eighteen equivalent NiSm5Ni7 cuboctahedra. All Ni–Ni bond lengths are 2.56 Å. In the third Ni site, Ni is bonded to four equivalent Sm and eight Ni atoms to form NiSm4Ni8 cuboctahedra that share corners with sixteen NiSm5Ni7 cuboctahedra, edges with ten NiSm5Ni7 cuboctahedra, and faces with ten NiSm4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.45–2.50 Å. In the fourth Ni site, Ni is bonded to five Sm and seven Ni atoms to form distorted NiSm5Ni7 cuboctahedra that share corners with seventeen NiSm6Ni6 cuboctahedra, edges with eight NiSm4Ni8 cuboctahedra, and faces with fourteen NiSm6Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.46–2.50 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and six Ni atoms.},
doi = {10.17188/1652704},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}