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DOE OSTI2020

Materials Data on NaHo3 by Materials Project

NaHo3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ho atoms to form NaHo12 cuboctahedra that share corners with twelve equivalent NaHo12 cuboctahedra, edges with twenty-four equivalent HoNa4Ho8 cuboctahedra, faces with six equivalent NaHo12 cuboctahedra, and faces with twelve equivalent HoNa4Ho8 cuboctahedra. All Na–Ho bond lengths are 3.54 Å. Ho is bonded to four equivalent Na and eight equivalent Ho atoms to form HoNa4Ho8 cuboctahedra that share corners with twelve equivalent HoNa4Ho8 cuboctahedra, edges with eight equivalent NaHo12 cuboctahedra, edges with sixteen equivalent HoNa4Ho8 cuboctahedra, faces with four equivalent NaHo12 cuboctahedra, and faces with fourteen equivalent HoNa4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.54 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NaHo3 by Materials Project

NaHo3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Ho atoms to form NaHo12 cuboctahedra that share corners with four equivalent NaHo12 cuboctahedra, edges with eight equivalent NaHo12 cuboctahedra, edges with sixteen equivalent HoNa4Ho8 cuboctahedra, faces with four equivalent NaHo12 cuboctahedra, and faces with eight equivalent HoNa4Ho8 cuboctahedra. There are four shorter (3.43 Å) and eight longer (3.60 Å) Na–Ho bond lengths. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Na and eight Ho atoms to form HoNa4Ho8 cuboctahedra that share corners with twelve equivalent HoNa4Ho8 cuboctahedra, edges with eight equivalent NaHo12 cuboctahedra, edges with eight equivalent HoNa4Ho8 cuboctahedra, faces with four equivalent NaHo12 cuboctahedra, and faces with ten equivalent HoNa4Ho8 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.60 Å) Ho–Ho bond lengths. In the second Ho site, Ho is bonded in a distorted square co-planar geometry to four equivalent Na and eight equivalent Ho atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NaHo3 by Materials Project

NaHo3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Ho atoms. There are eight shorter (3.43 Å) and six longer (3.96 Å) Na–Ho bond lengths. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Ho atoms. All Ho–Ho bond lengths are 3.43 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Ho atoms.

36 MATERIALS SCIENCE↗