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Materials Data on Eu2SO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196350· OSTI ID:1196350
Eu2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Eu–S bond lengths are 2.97 Å. There are three shorter (2.34 Å) and one longer (2.39 Å) Eu–O bond lengths. S2- is bonded to six equivalent Eu3+ atoms to form distorted SEu6 octahedra that share corners with twelve equivalent OEu4 tetrahedra, edges with six equivalent SEu6 octahedra, and edges with six equivalent OEu4 tetrahedra. O2- is bonded to four equivalent Eu3+ atoms to form OEu4 tetrahedra that share corners with six equivalent SEu6 octahedra, corners with six equivalent OEu4 tetrahedra, edges with three equivalent SEu6 octahedra, and edges with three equivalent OEu4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.
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:
1196350
Report Number(s):
mp-21071
Country of Publication:
United States
Language:
English

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