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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ho2SO2 by Materials Project

Ho2SO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Ho–S bond lengths are 2.87 Å. There are three shorter (2.26 Å) and one longer (2.28 Å) Ho–O bond lengths. S2- is bonded to six equivalent Ho3+ atoms to form distorted SHo6 octahedra that share corners with twelve equivalent OHo4 tetrahedra, edges with six equivalent SHo6 octahedra, and edges with six equivalent OHo4 tetrahedra. O2- is bonded to four equivalent Ho3+ atoms to form OHo4 tetrahedra that share corners with six equivalent SHo6 octahedra, corners with six equivalent OHo4 tetrahedra, edges with three equivalent SHo6 octahedra, and edges with three equivalent OHo4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2SO2 by Materials Project

Ho2SO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho3+ is bonded in a 4-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Ho–S bond lengths are 2.89 Å. There are three shorter (2.25 Å) and one longer (2.30 Å) Ho–O bond lengths. S2- is bonded in a 6-coordinate geometry to six equivalent Ho3+ atoms. O2- is bonded to four equivalent Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2(SO4)3 by Materials Project

Ho2(SO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.22–2.25 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 15–26°. All S–O bond lengths are 1.48 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 3–35°. All S–O bond lengths are 1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ho3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Ho3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSO by Materials Project

HoSO crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ho3+ is bonded in a 4-coordinate geometry to four equivalent S1- and four equivalent O2- atoms. There are two shorter (3.01 Å) and two longer (3.02 Å) Ho–S bond lengths. There are two shorter (2.24 Å) and two longer (2.29 Å) Ho–O bond lengths. S1- is bonded in a 5-coordinate geometry to four equivalent Ho3+ and one S1- atom. The S–S bond length is 2.10 Å. O2- is bonded to four equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing OHo4 tetrahedra.

36 MATERIALS SCIENCE↗