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DOE OSTI2020

Materials Data on HoAgSn by Materials Project

HoAgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.06 Å) and three longer (3.59 Å) Ho–Ag bond lengths. There are three shorter (3.18 Å) and three longer (3.43 Å) Ho–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Sn atoms. There are three shorter (2.82 Å) and one longer (3.00 Å) Ag–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ho3(AgSn)4 by Materials Project

Ho3(AgSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.27 Å) and two longer (3.41 Å) Ho–Ag bond lengths. All Ho–Sn bond lengths are 3.33 Å. In the second Ho site, Ho is bonded to eight equivalent Ag and six Sn atoms to form distorted face-sharing HoAg8Sn6 octahedra. All Ho–Ag bond lengths are 3.78 Å. There are four shorter (3.20 Å) and two longer (3.29 Å) Ho–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to five Ho, three equivalent Ag, and four Sn atoms. There are one shorter (2.93 Å) and two longer (3.39 Å) Ag–Ag bond lengths. There are a spread of Ag–Sn bond distances ranging from 2.74–2.82 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Ho, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.92 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Ho and six equivalent Ag atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HoAgSn by Materials Project

HoAgSn crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.16 Å) and three longer (3.37 Å) Ho–Ag bond lengths. There are three shorter (3.20 Å) and three longer (3.73 Å) Ho–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Ho, three equivalent Ag, and one Sn atom. All Ag–Ag bond lengths are 2.82 Å. The Ag–Sn bond length is 3.06 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho, one Ag, and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.93 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HoAgSn2 by Materials Project

HoAgSn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho is bonded to four equivalent Ag and eight equivalent Sn atoms to form HoAg4Sn8 cuboctahedra that share corners with twelve equivalent HoAg4Sn8 cuboctahedra, edges with eight equivalent AgHo4Sn8 cuboctahedra, edges with sixteen equivalent SnHo4Ag4Sn4 cuboctahedra, faces with four equivalent AgHo4Sn8 cuboctahedra, faces with six equivalent HoAg4Sn8 cuboctahedra, and faces with eight equivalent SnHo4Ag4Sn4 cuboctahedra. All Ho–Ag bond lengths are 3.28 Å. All Ho–Sn bond lengths are 3.20 Å. Ag is bonded to four equivalent Ho and eight equivalent Sn atoms to form AgHo4Sn8 cuboctahedra that share corners with twelve equivalent AgHo4Sn8 cuboctahedra, edges with eight equivalent HoAg4Sn8 cuboctahedra, edges with sixteen equivalent SnHo4Ag4Sn4 cuboctahedra, faces with four equivalent HoAg4Sn8 cuboctahedra, faces with six equivalent AgHo4Sn8 cuboctahedra, and faces with eight equivalent SnHo4Ag4Sn4 cuboctahedra. All Ag–Sn bond lengths are 3.20 Å. Sn is bonded to four equivalent Ho, four equivalent Ag, and four equivalent Sn atoms to form distorted SnHo4Ag4Sn4 cuboctahedra that share corners with twelve equivalent SnHo4Ag4Sn4 cuboctahedra, edges with eight equivalent HoAg4Sn8 cuboctahedra, edges with eight equivalent AgHo4Sn8 cuboctahedra, edges with eight equivalent SnHo4Ag4Sn4 cuboctahedra, faces with four equivalent HoAg4Sn8 cuboctahedra, faces with four equivalent AgHo4Sn8 cuboctahedra, and faces with ten equivalent SnHo4Ag4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.28 Å.

36 MATERIALS SCIENCE↗