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Materials Data on OsS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196100· OSTI ID:1196100
SSOs is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Os4+ is bonded to six equivalent S2- atoms to form OsS6 octahedra that share corners with twelve equivalent OsS6 octahedra and corners with six equivalent SOs3S tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Os–S bond lengths are 2.37 Å. S2- is bonded to three equivalent Os4+ and one S2- atom to form distorted SOs3S tetrahedra that share corners with three equivalent OsS6 octahedra and corners with fifteen equivalent SOs3S tetrahedra. The corner-sharing octahedral tilt angles are 78°. The S–S bond length is 2.28 Å.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1196100
Report Number(s):
mp-20905
Country of Publication:
United States
Language:
English

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