U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm(NiAs)2 by Materials Project
Abstract
Sm(NiAs)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.16 Å) and four longer (3.17 Å) Sm–As bond lengths. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.42 Å. In the second Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five As3- atoms. There are one shorter (2.35 Å) and four longer (2.39 Å) Ni–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ni2+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Ni2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1079033
- 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; As-Ni-Sm; Sm(NiAs)2; crystal structure
- OSTI Identifier:
- 1704584
- DOI:
- https://doi.org/10.17188/1704584
Citation Formats
Materials Data on Sm(NiAs)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1704584.
Materials Data on Sm(NiAs)2 by Materials Project. United States. doi:https://doi.org/10.17188/1704584
2020.
"Materials Data on Sm(NiAs)2 by Materials Project". United States. doi:https://doi.org/10.17188/1704584. https://www.osti.gov/servlets/purl/1704584. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1704584,
title = {Materials Data on Sm(NiAs)2 by Materials Project},
abstractNote = {Sm(NiAs)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.16 Å) and four longer (3.17 Å) Sm–As bond lengths. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.42 Å. In the second Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five As3- atoms. There are one shorter (2.35 Å) and four longer (2.39 Å) Ni–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ni2+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Ni2+ atoms.},
doi = {10.17188/1704584},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}