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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoBiO3 by Materials Project

HoBiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.24 Å) and three longer (2.35 Å) Ho–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing BiO6 octahedra. There are three shorter (2.33 Å) and three longer (2.49 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ho3+ and two equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Bi2O7 by Materials Project

Ho2Bi2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.36 Å) and six longer (2.51 Å) Ho–O bond lengths. Bi4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Bi–O bond lengths are 2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Bi4+ atoms to form a mixture of edge and corner-sharing OHo2Bi2 tetrahedra. In the second O2- site, 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 Ho(Bi3O5)4 by Materials Project

Ho(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ho3+ is bonded to four equivalent O2- atoms to form HoO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Ho–O bond lengths are 2.17 Å. Bi+3.08+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one HoO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.08+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.08+ atoms. In the third O2- site, O2- is bonded to one Ho3+ and three equivalent Bi+3.08+ atoms to form corner-sharing OHoBi3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoBiO3 by Materials Project

HoBiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are two shorter (2.28 Å) and four longer (2.29 Å) Ho–O bond lengths. Bi3+ is bonded in a 3-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–3.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and three equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoBiO3 by Materials Project

HoBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent O2- atoms to form distorted HoO6 octahedra that share corners with three equivalent BiO6 octahedra, corners with six equivalent HoO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–69°. There are three shorter (2.22 Å) and three longer (2.34 Å) Ho–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 octahedra that share corners with three equivalent HoO6 octahedra, corners with six equivalent BiO6 octahedra, edges with three equivalent HoO6 octahedra, and a faceface with one HoO6 octahedra. The corner-sharing octahedra tilt angles range from 55–69°. There are three shorter (2.32 Å) and three longer (2.52 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ho3+ and two equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2BiO2 by Materials Project

Ho2BiO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent O atoms. All Ho–Bi bond lengths are 3.57 Å. All Ho–O bond lengths are 2.22 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. O is bonded to four equivalent Ho atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra.

36 MATERIALS SCIENCE↗