U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmNi4B by Materials Project
Abstract
SmNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Sm–Ni bond lengths are 2.92 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Sm–Ni bond lengths are 2.92 Å. All Sm–B bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and nine Ni atoms. There are six shorter (2.53 Å) and three longer (2.92 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Sm, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ni atoms.
- Publication Date:
- Other Number(s):
- mp-1102220
- 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; B-Ni-Sm; SmNi4B; crystal structure
- OSTI Identifier:
- 1676510
- DOI:
- https://doi.org/10.17188/1676510
Citation Formats
Materials Data on SmNi4B by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1676510.
Materials Data on SmNi4B by Materials Project. United States. doi:https://doi.org/10.17188/1676510
2018.
"Materials Data on SmNi4B by Materials Project". United States. doi:https://doi.org/10.17188/1676510. https://www.osti.gov/servlets/purl/1676510. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1676510,
title = {Materials Data on SmNi4B by Materials Project},
abstractNote = {SmNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Sm–Ni bond lengths are 2.92 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Sm–Ni bond lengths are 2.92 Å. All Sm–B bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and nine Ni atoms. There are six shorter (2.53 Å) and three longer (2.92 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Sm, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ni atoms.},
doi = {10.17188/1676510},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}