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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErAgSn by Materials Project

ErAgSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Ag and five Sn atoms. There are two shorter (3.27 Å) and four longer (3.56 Å) Er–Ag bond lengths. There are four shorter (3.14 Å) and one longer (3.18 Å) Er–Sn bond lengths. Ag is bonded to six equivalent Er, two equivalent Ag, and four Sn atoms to form a mixture of distorted face, edge, and corner-sharing AgEr6Ag2Sn4 cuboctahedra. Both Ag–Ag bond lengths are 3.15 Å. There are two shorter (2.84 Å) and two longer (2.89 Å) Ag–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErAgSn by Materials Project

ErAgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er 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 (3.56 Å) Er–Ag bond lengths. There are three shorter (3.17 Å) and three longer (3.43 Å) Er–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Sn atoms. There are three shorter (2.81 Å) and one longer (2.99 Å) Ag–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErAgSn2 by Materials Project

AgErSn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to four equivalent Ag and eight equivalent Sn atoms to form ErAg4Sn8 cuboctahedra that share corners with twelve equivalent ErAg4Sn8 cuboctahedra, edges with eight equivalent AgEr4Sn8 cuboctahedra, edges with sixteen equivalent SnEr4Ag4Sn4 cuboctahedra, faces with four equivalent AgEr4Sn8 cuboctahedra, faces with six equivalent ErAg4Sn8 cuboctahedra, and faces with eight equivalent SnEr4Ag4Sn4 cuboctahedra. All Er–Ag bond lengths are 3.27 Å. All Er–Sn bond lengths are 3.20 Å. Ag is bonded to four equivalent Er and eight equivalent Sn atoms to form AgEr4Sn8 cuboctahedra that share corners with twelve equivalent AgEr4Sn8 cuboctahedra, edges with eight equivalent ErAg4Sn8 cuboctahedra, edges with sixteen equivalent SnEr4Ag4Sn4 cuboctahedra, faces with four equivalent ErAg4Sn8 cuboctahedra, faces with six equivalent AgEr4Sn8 cuboctahedra, and faces with eight equivalent SnEr4Ag4Sn4 cuboctahedra. All Ag–Sn bond lengths are 3.20 Å. Sn is bonded to four equivalent Er, four equivalent Ag, and four equivalent Sn atoms to form distorted SnEr4Ag4Sn4 cuboctahedra that share corners with twelve equivalent SnEr4Ag4Sn4 cuboctahedra, edges with eight equivalent ErAg4Sn8 cuboctahedra, edges with eight equivalent AgEr4Sn8 cuboctahedra, edges with eight equivalent SnEr4Ag4Sn4 cuboctahedra, faces with four equivalent ErAg4Sn8 cuboctahedra, faces with four equivalent AgEr4Sn8 cuboctahedra, and faces with ten equivalent SnEr4Ag4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.27 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErAgSn by Materials Project

ErAgSn crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.15 Å) and three longer (3.36 Å) Er–Ag bond lengths. There are three shorter (3.20 Å) and three longer (3.73 Å) Er–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Er, three equivalent Ag, and one Sn atom. All Ag–Ag bond lengths are 2.82 Å. The Ag–Sn bond length is 3.04 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er, one Ag, and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.93 Å.

36 MATERIALS SCIENCE↗