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DOE OSTI2020

Materials Data on HoAs by Materials Project

HoAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing HoAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–As bond lengths are 2.90 Å. As3- is bonded to six equivalent Ho3+ atoms to form a mixture of edge and corner-sharing AsHo6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HoAs by Materials Project

HoAs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ho–As bond lengths are 3.08 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HoAs3 by Materials Project

HoAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho3+ is bonded to twelve equivalent As1- atoms to form a mixture of corner and face-sharing HoAs12 cuboctahedra. There are six shorter (3.00 Å) and six longer (3.16 Å) Ho–As bond lengths. As1- is bonded in a 6-coordinate geometry to four equivalent Ho3+ and two equivalent As1- atoms. Both As–As bond lengths are 2.75 Å.

36 MATERIALS SCIENCE↗