U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm4EuS5 by Materials Project
Abstract
EuSm4S5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent S2- atoms to form EuS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent EuS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Eu–S bond lengths are 2.89 Å. There are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded to six S2- atoms to form SmS6 octahedra that share corners with three equivalent EuS6 octahedra, corners with three equivalent SmS6 octahedra, edges with three equivalent EuS6 octahedra, and edges with nine SmS6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are three shorter (2.81 Å) and three longer (2.86 Å) Sm–S bond lengths. In the second Sm2+ site, Sm2+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing SmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.82 Å) and three longer (2.87 Å) Sm–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Eu2+ and three equivalent Sm2+ atoms tomore »
- Publication Date:
- Other Number(s):
- mp-1219173
- 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; Eu-S-Sm; Sm4EuS5; crystal structure
- OSTI Identifier:
- 1699289
- DOI:
- https://doi.org/10.17188/1699289
Citation Formats
Materials Data on Sm4EuS5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699289.
Materials Data on Sm4EuS5 by Materials Project. United States. doi:https://doi.org/10.17188/1699289
2020.
"Materials Data on Sm4EuS5 by Materials Project". United States. doi:https://doi.org/10.17188/1699289. https://www.osti.gov/servlets/purl/1699289. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1699289,
title = {Materials Data on Sm4EuS5 by Materials Project},
abstractNote = {EuSm4S5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent S2- atoms to form EuS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent EuS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Eu–S bond lengths are 2.89 Å. There are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded to six S2- atoms to form SmS6 octahedra that share corners with three equivalent EuS6 octahedra, corners with three equivalent SmS6 octahedra, edges with three equivalent EuS6 octahedra, and edges with nine SmS6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are three shorter (2.81 Å) and three longer (2.86 Å) Sm–S bond lengths. In the second Sm2+ site, Sm2+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing SmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.82 Å) and three longer (2.87 Å) Sm–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Eu2+ and three equivalent Sm2+ atoms to form a mixture of edge and corner-sharing SSm3Eu3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second S2- site, S2- is bonded to six equivalent Sm2+ atoms to form a mixture of edge and corner-sharing SSm6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third S2- site, S2- is bonded to six Sm2+ atoms to form a mixture of edge and corner-sharing SSm6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°.},
doi = {10.17188/1699289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}