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DOE OSTI2020

Materials Data on Yb2SO2 by Materials Project

Yb2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb3+ is bonded in a 4-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Yb–S bond lengths are 3.04 Å. There are three shorter (2.24 Å) and one longer (2.27 Å) Yb–O bond lengths. S2- is bonded in a 12-coordinate geometry to six equivalent Yb3+ atoms. O2- is bonded to four equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing OYb4 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Yb2SO2 by Materials Project

Yb2O2S crystallizes in the hexagonal P6mm space group. The structure is three-dimensional. Yb3+ is bonded in a distorted linear geometry to three equivalent S2- and two equivalent O2- atoms. All Yb–S bond lengths are 2.96 Å. Both Yb–O bond lengths are 2.14 Å. S2- is bonded in a hexagonal planar geometry to six equivalent Yb3+ atoms. O2- is bonded in a linear geometry to two equivalent Yb3+ atoms.

36 MATERIALS SCIENCE↗