U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm3HoS4 by Materials Project
Abstract
HoSm3S4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ho is bonded to six equivalent S atoms to form HoS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent HoS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ho–S bond lengths are 2.75 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to six S atoms to form SmS6 octahedra that share corners with three equivalent HoS6 octahedra, corners with three equivalent SmS6 octahedra, edges with three equivalent HoS6 octahedra, and edges with nine SmS6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (2.82 Å) and three longer (2.86 Å) Sm–S bond lengths. In the second Sm site, Sm is bonded to six equivalent S atoms to form a mixture of corner and edge-sharing SmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–S bond lengths are 2.82 Å. There are two inequivalent S sites. In the first S site, S is bonded to three equivalent Ho and three equivalent Sm atoms to form a mixture of corner andmore »
- Publication Date:
- Other Number(s):
- mp-1219190
- 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; Ho-S-Sm; Sm3HoS4; crystal structure
- OSTI Identifier:
- 1654976
- DOI:
- https://doi.org/10.17188/1654976
Citation Formats
Materials Data on Sm3HoS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1654976.
Materials Data on Sm3HoS4 by Materials Project. United States. doi:https://doi.org/10.17188/1654976
2020.
"Materials Data on Sm3HoS4 by Materials Project". United States. doi:https://doi.org/10.17188/1654976. https://www.osti.gov/servlets/purl/1654976. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1654976,
title = {Materials Data on Sm3HoS4 by Materials Project},
abstractNote = {HoSm3S4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ho is bonded to six equivalent S atoms to form HoS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent HoS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ho–S bond lengths are 2.75 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to six S atoms to form SmS6 octahedra that share corners with three equivalent HoS6 octahedra, corners with three equivalent SmS6 octahedra, edges with three equivalent HoS6 octahedra, and edges with nine SmS6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (2.82 Å) and three longer (2.86 Å) Sm–S bond lengths. In the second Sm site, Sm is bonded to six equivalent S atoms to form a mixture of corner and edge-sharing SmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–S bond lengths are 2.82 Å. There are two inequivalent S sites. In the first S site, S is bonded to three equivalent Ho and three equivalent Sm atoms to form a mixture of corner and edge-sharing SSm3Ho3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second S site, S is bonded to six Sm atoms to form a mixture of corner and edge-sharing SSm6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.},
doi = {10.17188/1654976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}