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DOE OSTI2020

Materials Data on HoClO by Materials Project

HoOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Ho–O bond lengths are 2.24 Å. There are four shorter (3.07 Å) and one longer (3.11 Å) Ho–Cl bond lengths. O2- is bonded to four equivalent Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(ClO4)3 by Materials Project

Ho(O4Cl)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ho–O bond distances ranging from 2.35–2.47 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ho and one Cl atom. The O–Cl bond length is 1.48 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Ho and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the fourth O site, O is bonded in a water-like geometry to one Ho and one Cl atom. The O–Cl bond length is 1.48 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoClO2 by Materials Project

HoO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Ho–O bond distances ranging from 2.27–2.41 Å. There are two shorter (2.78 Å) and one longer (2.89 Å) Ho–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three equivalent Ho atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to three equivalent Ho atoms. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ho atoms.

36 MATERIALS SCIENCE↗