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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoHO2 by Materials Project

HoOOH crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.45 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.45 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra. In the second O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra. In the third O2- site, O2- is bonded in a single-bond geometry to three Ho3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to three Ho3+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoHO2 by Materials Project

HoOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Ho–O bond distances ranging from 2.20–2.40 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ho3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoHO2 by Materials Project

HoOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Ho–O bond distances ranging from 2.21–2.39 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ho3+ and one H1+ atom. In the second O2- site, O2- is bonded to three equivalent Ho3+ and one H1+ atom to form distorted corner-sharing OHo3H tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoHO2 by Materials Project

HoOOH crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent O2- atoms to form edge-sharing HoO6 octahedra. All Ho–O bond lengths are 2.29 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. O2- is bonded to three equivalent Ho3+ and one H1+ atom to form a mixture of distorted edge and corner-sharing OHo3H tetrahedra.

36 MATERIALS SCIENCE↗