U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm3Ni7B2 by Materials Project
Abstract
Sm3Ni7B2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted trigonal planar geometry to three equivalent Sm and three equivalent Ni atoms. All Sm–Sm bond lengths are 3.03 Å. All Sm–Ni bond lengths are 3.03 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve Ni and six B atoms. There are eight shorter (2.95 Å) and four longer (2.96 Å) Sm–Ni bond lengths. All Sm–B bond lengths are 3.03 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Sm and nine Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.72–3.03 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three Sm, one Ni, and two B atoms. The Ni–Ni bond length is 2.68 Å. There are one shorter (2.00 Å) and one longer (2.07 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to three Sm, one Ni, and two B atoms. The Ni–Ni bond lengthmore »
- Publication Date:
- Other Number(s):
- mp-1219363
- 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; Sm3Ni7B2; crystal structure
- OSTI Identifier:
- 1709536
- DOI:
- https://doi.org/10.17188/1709536
Citation Formats
Materials Data on Sm3Ni7B2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1709536.
Materials Data on Sm3Ni7B2 by Materials Project. United States. doi:https://doi.org/10.17188/1709536
2019.
"Materials Data on Sm3Ni7B2 by Materials Project". United States. doi:https://doi.org/10.17188/1709536. https://www.osti.gov/servlets/purl/1709536. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1709536,
title = {Materials Data on Sm3Ni7B2 by Materials Project},
abstractNote = {Sm3Ni7B2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted trigonal planar geometry to three equivalent Sm and three equivalent Ni atoms. All Sm–Sm bond lengths are 3.03 Å. All Sm–Ni bond lengths are 3.03 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve Ni and six B atoms. There are eight shorter (2.95 Å) and four longer (2.96 Å) Sm–Ni bond lengths. All Sm–B bond lengths are 3.03 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Sm and nine Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.72–3.03 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three Sm, one Ni, and two B atoms. The Ni–Ni bond length is 2.68 Å. There are one shorter (2.00 Å) and one longer (2.07 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to three Sm, one Ni, and two B atoms. The Ni–Ni bond length is 2.68 Å. There are one shorter (2.00 Å) and one longer (2.07 Å) Ni–B bond lengths. In the third Ni site, Ni is bonded to six Sm and six Ni atoms to form edge-sharing NiSm6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six Ni atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six Ni atoms.},
doi = {10.17188/1709536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}